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Solar Materials

wdt_ID Material Id Formula Space group BAND GAP Formation Energy/Enthalpy ev Functional Pseudopotential
1 ems-1 CZTS l4 1.45 -4.79 HSE-06 PAW
2 ems-2 CZTS l4 0 -3.7 PBE PAW
3 ems-3 CZTSe l4 0.85 -4.5 HSE-06 PAW
4 ems-4 CZTSe l4 0 0 PBE PAW
5 ems-5 GaAs F-43M 0.6 0 PBE PAW
6 em-1 C-graphene P63/lmmc 0 0 PBE PAW
7 em-2 C-graphdiyne F3mmm 1.12 0 PBE PAW
8 em-3 Silicon Fd3m 0.6 0 PBE PAW
9 em-4 BN P63/mmc 3.5 0 PBE PAW
10 em-5 Pt Fm3m 0 0 PBE PAW
Material Id Formula Space group BAND GAP Formation Energy/Enthalpy ev Functional Pseudopotential
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