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FIrNORb
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FIrNORb
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ABCDE
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BiCsFO2
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BiCsFO2
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A2BCD
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HgN3Pb
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HgN3Pb
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A3BC
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CsN2OTa
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CsN2OTa
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A2BCD
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HfKO3
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HfKO3
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A3BC
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BFHgNO
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BFHgNO
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ABCDE
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CoLaN2O
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CoLaN2O
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A2BCD
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AlAsNO2
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AlAsNO2
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A2BCD
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[
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AgO3Re
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A3BC
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FeO2STe
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A2BCD
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AlHgN2O
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CdN2OTa
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CdN2OTa
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A2BCD
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FNOSbY
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FNOSbY
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CoLiN3
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A3BC
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O3RhSr
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O3RhSr
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A3BC
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FeNiO3
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FeNiO3
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A3BC
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CoLiN2O
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CoLiN2O
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A2BCD
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FeO3Ti
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FeO3Ti
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A3BC
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[
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[
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CdGaN3
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CdGaN3
|
A3BC
|
[
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[
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NO2PdSb
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NO2PdSb
|
A2BCD
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[
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CrFMnNO
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CrFMnNO
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ABCDE
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N2ORhW
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N2ORhW
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A2BCD
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FGaO2Sn
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FGaO2Sn
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A2BCD
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O2ReSSc
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O2ReSSc
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A2BCD
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[
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CoFNOTa
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CoFNOTa
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ABCDE
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[
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[
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AlO3Tl
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AlO3Tl
|
A3BC
|
[
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[
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[
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DS_sinisy47w8ff_0
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AsN3W
|
AsN3W
|
A3BC
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[
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[
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[
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data/MD/2544/MD_5179316266638798587932544.json
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DS_sinisy47w8ff_0
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O2PtRbS
|
O2PtRbS
|
A2BCD
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O3PtRb
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O3PtRb
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A3BC
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[
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[
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CuN2OTi
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CuN2OTi
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A2BCD
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[
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AgHfN2O
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AgHfN2O
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A2BCD
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[
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FLaO2Ti
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FLaO2Ti
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A2BCD
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[
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[
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DS_sinisy47w8ff_0
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DFT-RPBE
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GaMgO3
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GaMgO3
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A3BC
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[
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[
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[
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DS_sinisy47w8ff_0
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DFT-RPBE
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[
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BCuN3
|
BCuN3
|
A3BC
|
[
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[
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[
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PO_4920592229527550862597813
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| 2025-04-16T20:47:27
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DS_sinisy47w8ff_0
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[
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CdGaO3
|
CdGaO3
|
A3BC
|
[
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[
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[
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PO_4920693444255975248371711
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| 2025-04-16T20:58:52
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DS_sinisy47w8ff_0
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DFT-RPBE
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[
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FNbO2Ta
|
FNbO2Ta
|
A2BCD
|
[
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[
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[
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data/MD/7488/MD_3748847767651166569197488.json
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PO_4920355530887022521011077
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| 2025-04-16T17:38:31
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DS_sinisy47w8ff_0
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DFT-RPBE
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NNbO2Te
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NNbO2Te
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A2BCD
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[
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[
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AlCdFNO
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AlCdFNO
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ABCDE
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FGaNaO2
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FGaNaO2
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A2BCD
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[
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[
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N3YZr
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N3YZr
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A3BC
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[
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[
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0.2
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DS_sinisy47w8ff_0
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BaCuNO2
|
BaCuNO2
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A2BCD
|
[
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[
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DS_sinisy47w8ff_0
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CsLiO3
|
CsLiO3
|
A3BC
|
[
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[
0.2,
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0.6
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[
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CoInN2O
|
CoInN2O
|
A2BCD
|
[
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[
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data/MD/2940/MD_1093871284898630876542940.json
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DS_sinisy47w8ff_0
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BFO2Sn
|
BFO2Sn
|
A2BCD
|
[
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[
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data/MD/7680/MD_7799362527277376825557680.json
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GaN2ORb
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A2BCD
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LiO3Rb
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LiO3Rb
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A3BC
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DFT-RPBE
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AuGeO2S
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AuGeO2S
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A2BCD
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[
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GPAW
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DFT-RPBE
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BO2PtS
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BO2PtS
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A2BCD
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[
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[
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DFT-RPBE
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[
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AlFLiO2
|
AlFLiO2
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A2BCD
|
[
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[
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[
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13,
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DS_sinisy47w8ff_0
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GPAW
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DFT-RPBE
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[
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AuFNOV
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AuFNOV
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ABCDE
|
[
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[
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[
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data/MD/9825/MD_8034813629451596194719825.json
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DS_sinisy47w8ff_0
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DFT-RPBE
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FKNORb
|
FKNORb
|
ABCDE
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/0415/MD_1235609232562853670160415.json
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DS_sinisy47w8ff_0
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[
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FGeIrNO
|
FGeIrNO
|
ABCDE
|
[
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[
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0.2
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[
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77,
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A2BCD
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FNORhTa
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FNORhTa
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ABCDE
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FIrO2Sr
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FIrO2Sr
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A2BCD
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CdIrO2S
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CdIrO2S
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A2BCD
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N3NaZr
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N3NaZr
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A3BC
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[
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[
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LaMnNO2
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LaMnNO2
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A2BCD
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[
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CrFO2Sb
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CrFO2Sb
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A2BCD
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AgFInO2
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AgFInO2
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A2BCD
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[
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LiNbO3
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LiNbO3
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A3BC
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[
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[
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CaFNOTi
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CaFNOTi
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ABCDE
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FKNOW
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FKNOW
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ABCDE
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LaN2OSc
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LaN2OSc
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A2BCD
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[
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[
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KN3Pt
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KN3Pt
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A3BC
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[
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[
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[
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DS_sinisy47w8ff_0
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N3NaRu
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N3NaRu
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A3BC
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[
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[
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[
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[
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MgN2OTi
|
MgN2OTi
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A2BCD
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[
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[
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0
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[
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0
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[
0.010494229545751542,
1.9749518059463795,
1.9749518059463795
]
] |
[
true,
true,
true
] |
MoO3V
|
MoO3V
|
A3BC
|
[
"Mo",
"O",
"V"
] |
[
0.2,
0.6,
0.2
] |
[
23,
42,
8,
8,
8
] | 5
| 3
| 0
|
[
0,
0,
0
] |
[
"matbench_perovskites_31"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4070/MD_3836954984843479865624070.json
| null |
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|
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|
PO_4938536471321642487980353
|
4938536471321642487980353825019074467199401627522542595097662004234924189330750063915146476471703841518856129874255876472025350137024084821391074715321281
| 2025-04-16T21:09:01
|
DS_sinisy47w8ff_0
| 1
|
GPAW
|
DFT-RPBE
| null |
[] |
[] | null | null | null | 0.72
| null | null | null | null | null |
CO_6032081423103890619449143
|
603208142310389061944914311111851968119067952614108437817253201472683734564867226821244255177279646952803262462988011107980743037416957303730222491777957
|
2981612630844191465635866665242543245088857208290684870032233547555017950965924426357544939749623907048200049036768095472662188653276864197053126069509288
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0,
0
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[
0,
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0
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[
0,
0,
4.0382864643714225
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[
[
0.44733672901157584,
4.038286464371422,
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[
2.0557930498487638,
2.0191432321857103,
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2.0191432321857103
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[
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1.6801120270219544e-19
],
[
3.9927423529521984,
2.0191432321857103,
2.0191432321857103
]
] |
[
true,
true,
true
] |
BiGaNO2
|
BiGaNO2
|
A2BCD
|
[
"Bi",
"Ga",
"N",
"O"
] |
[
0.2,
0.2,
0.2,
0.4
] |
[
83,
31,
7,
8,
8
] | 5
| 4
| 0
|
[
0,
0,
0
] |
[
"matbench_perovskites_15895"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6721/MD_8922548180577114966496721.json
| null |
{"materials-project-version": "2019.7.30", "volume": 65.85539665241926, "hash": "8922548180577114966496721838488627417101053423151875851955359329034081795451905465553324707220638784972417420391613075644031997756003558176595664435918453", "id": "MD_8922548180577114966496721"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_4938159875037499705482625
|
4938159875037499705482625449160940010042506748764341302199076532749188815480939777084095919524271695749262364040537181269588297813796407302606583886675638
| 2025-04-16T21:13:40
|
DS_sinisy47w8ff_0
| 1
|
GPAW
|
DFT-RPBE
| null |
[] |
[] | null | null | null | 1.54
| null | null | null | null | null |
CO_1244233481787332248839295
|
12442334817873322488392953248158288454638321475831237347286302438346775755154311237382476398192261747337236236326230352845418059959925812713096456858628481
|
2615771317366553392931106529689386915503699620312604508249316608649425153991353661346012009258586777995681921555985489318860249022664728807350679772279896
|
[
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0,
0
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[
0,
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0
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[
0,
0,
4.308669669383854
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[
[
0.6760153234389209,
4.291590138577406e-17,
0
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[
2.3263725839223417,
2.154334834691926,
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1.820874683662145,
0,
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1.4378229056233519e-18
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[
0.05706425972253218,
2.154334834691926,
2.154334834691926
]
] |
[
true,
true,
true
] |
IrMoO2S
|
IrMoO2S
|
A2BCD
|
[
"Ir",
"Mo",
"O",
"S"
] |
[
0.2,
0.2,
0.4,
0.2
] |
[
42,
77,
16,
8,
8
] | 5
| 4
| 0
|
[
0,
0,
0
] |
[
"matbench_perovskites_5938"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6868/MD_1091700153749280237546868.json
| null |
{"materials-project-version": "2019.7.30", "volume": 79.9888768172194, "hash": "10917001537492802375468687591292833035654700760217892782195497880685358161394428382265092085542095691440321589313647546743283425484082325683030227286583136", "id": "MD_1091700153749280237546868"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1003271614471962252445752
|
10032716144719622524457521035504829688657613020317718306025424863676179959305811609220267952376859734655286887328554389774255777819172233872947400411023086
| 2025-04-16T19:00:56
|
DS_sinisy47w8ff_0
| 1
|
GPAW
|
DFT-RPBE
| null |
[] |
[] | null | null | null | 1.42
| null | null | null | null | null |
CO_1156588696233517127579293
|
11565886962335171275792937565139188343327543157226047822547820295209235918942270703341687628684711943832669622891562734240239503634327599260942766432139103
|
567767912168180085053610895375091535795551933584068949796635970861904152447164160698458399406443956591607054373090391126614072579625955377498325068650890
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[
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0,
0
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[
0,
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0
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[
0,
0,
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[
[
1.0070813782593662,
4.039137026336451,
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[
2.067870274468268,
2.019568513168227,
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[
1.596002147778955,
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2.019568513168227
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[
1.596002147778955,
2.019568513168227,
0
],
[
3.9924921648349163,
2.019568513168227,
2.019568513168227
]
] |
[
true,
true,
true
] |
GaN2OPt
|
GaN2OPt
|
A2BCD
|
[
"Ga",
"N",
"O",
"Pt"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
31,
78,
7,
7,
8
] | 5
| 4
| 0
|
[
0,
0,
0
] |
[
"matbench_perovskites_12854"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1883/MD_6761924034580745185871883.json
| null |
{"materials-project-version": "2019.7.30", "volume": 65.89701769256584, "hash": "6761924034580745185871883230123527707070686473906848558028431768122089046913955713593864854069275983118567206832457286739853733170923025389665649375222570", "id": "MD_6761924034580745185871883"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1003312936103078342175089
|
100331293610307834217508956975361482267058804330677158677943574980594068760812482273800935150243038797430415877449666552940992455809469988880641745383724
| 2025-04-16T21:43:25
|
DS_sinisy47w8ff_0
| 1
|
GPAW
|
DFT-RPBE
| null |
[] |
[] | null | null | null | 1.32
| null | null | null | null | null |
CO_3952072783046958455336750
|
395207278304695845533675016856133756073901515731034722744489390447674756235073771878453940816791603484150818262379652520957398097265854668976405721872111
|
3222482000152259912337847949281958165911208385027604874350715543030496654848053820235792925225834199315136996460795870100935456837308705484377612396050569
|
[
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4.336443140619164,
0,
0
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[
0,
4.336443140619164,
0
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[
0,
0,
4.336443140619164
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[
[
0.9609324755273259,
0,
0
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[
2.3515493942857066,
2.168221570309582,
2.168221570309582
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[
1.5246527436729005,
0,
2.168221570309582
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[
1.8458517389174736,
2.168221570309582,
6.028160317786707e-18
],
[
0.044981277043438794,
2.168221570309582,
2.168221570309582
]
] |
[
true,
true,
true
] |
O2PdSZn
|
O2PdSZn
|
A2BCD
|
[
"O",
"Pd",
"S",
"Zn"
] |
[
0.4,
0.2,
0.2,
0.2
] |
[
30,
46,
16,
8,
8
] | 5
| 4
| 0
|
[
0,
0,
0
] |
[
"matbench_perovskites_10147"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5178/MD_4999148746331390757215178.json
| null |
{"materials-project-version": "2019.7.30", "volume": 81.54568193259777, "hash": "4999148746331390757215178946579062619929101861656350322136747486839111600073382188944944404517696443965870107683469722817203204277483670555521147348479855", "id": "MD_4999148746331390757215178"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1003514060690811959562130
|
10035140606908119595621301440351928361788743028313269604241506894599823074938007004389371456610132948811703947596116448037518402040414645675480996276159691
| 2025-04-16T17:56:28
|
DS_sinisy47w8ff_0
| 1
|
GPAW
|
DFT-RPBE
| null |
[] |
[] | null | null | null | 2.12
| null | null | null | null | null |
CO_8761465719818423244501260
|
8761465719818423244501260472543995713850711931879611303257210456517390758514444968386784051315621467616152647321281282502995683887783283766929010752117092
|
887758490186667737025330247784263729972622470160581428414206372277849579556542267944391446696265650961801973198035870542539657056435877283042634978802670
|
[
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4.606593582120024,
0,
0
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[
0,
4.606593582120024,
0
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[
0,
0,
4.606593582120024
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[
[
0.0045691382434526725,
7.215690238468191e-19,
0
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[
2.320327019664865,
2.3032967910600117,
2.3032967910600117
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[
2.3111137835553976,
6.298715895415877e-20,
2.3032967910600117
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[
2.3229946680402564,
2.3032967910600117,
0
],
[
0.01664232105170225,
2.3032967910600117,
2.3032967910600117
]
] |
[
true,
true,
true
] |
BaLiNO2
|
BaLiNO2
|
A2BCD
|
[
"Ba",
"Li",
"N",
"O"
] |
[
0.2,
0.2,
0.2,
0.4
] |
[
3,
56,
7,
8,
8
] | 5
| 4
| 0
|
[
0,
0,
0
] |
[
"matbench_perovskites_18924"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0038/MD_4533225574247576792040038.json
| null |
{"materials-project-version": "2019.7.30", "volume": 97.75516083912466, "hash": "4533225574247576792040038969842328034122263227245793997775285481469239076620901965584501142830679540951238037844063000193127688583760031933994968956408931", "id": "MD_4533225574247576792040038"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1003658848609287925996152
|
10036588486092879259961520551597142755830512971555082234194498143388402156768182040502559357696711674043424961068290913778887348455422539126481924190230674
| 2025-04-16T22:03:29
|
DS_sinisy47w8ff_0
| 1
|
GPAW
|
DFT-RPBE
| null |
[] |
[] | null | null | null | 1.3
| null | null | null | null | null |
CO_9416202860689219861080116
|
9416202860689219861080116401579982112119793320407364107921546473538560957009741390958995528949721379045710341656225009396346001193699326941358136864790885
|
2952452006640499826827466392754070492743467310997654915847138340866219731265209333765365599691134471617824897166449250986199578313955723175311908510938080
|
[
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3.9897952325191866,
0,
0
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[
0,
3.9897952325191866,
0
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[
0,
0,
3.9897952325191866
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] |
[
[
0.4954481512052353,
6.646010537559021e-16,
8.89445604906957e-16
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[
1.8656951806057527,
1.9948976162595924,
1.9948976162595924
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[
1.5126601464760627,
0,
1.9948976162595924
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[
1.5119832089049157,
1.9948976162595924,
1.840586549482399e-18
],
[
3.834976340846601,
1.9948976162595924,
1.9948976162595924
]
] |
[
true,
true,
true
] |
NO2RhZr
|
NO2RhZr
|
A2BCD
|
[
"N",
"O",
"Rh",
"Zr"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
40,
45,
7,
8,
8
] | 5
| 4
| 0
|
[
0,
0,
0
] |
[
"matbench_perovskites_17748"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6644/MD_7033147263669331532716644.json
| null |
{"materials-project-version": "2019.7.30", "volume": 63.511419745576276, "hash": "7033147263669331532716644685810613182424741930102978335766743733580325062512135537868672250497222338044152442853983084712830858995947103018314512391140244", "id": "MD_7033147263669331532716644"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
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