Found 79 rows out of 79, showing rows 1-25

Unique ID age Formula Energy [eV] pbc Unit cell volume [Å3] charge Total magnetic moment [μB] Direct bandgap GLLB-SC [eV] Indirect bandgap GLLB-SC [eV] Calculated efficiency (thickness 1 nm) [eV]
1 AgNbO3 -36.430 67.081 0.000 3.540 2.985 0.003
2 BaFGaO2 -30.288 70.293 0.000 3.083 2.707 0.009
3 CsNbO3 -37.220 75.150 0.000 2.755 2.734 0.027
4 CaGeO3 -33.780 55.164 0.000 2.681 1.913 0.027
5 BaFInO2 -28.996 83.704 0.000 2.976 2.406 0.012
6 CaNTaO2 -41.987 67.841 0.000 1.833 1.833 0.152
7 BaSnO3 -32.843 74.568 0.000 2.416 2.140 0.052
8 BaNTaO2 -42.612 72.484 0.000 1.704 1.704 0.239
9 CaSnO3 -32.233 70.165 0.000 3.511 2.912 0.003
10 LaOTaN2 -46.283 71.044 0.000 1.818 1.527 0.211
11 LaNTiO2 -44.299 63.097 0.000 2.315 2.315 0.078
12 LiVO3 -36.103 55.296 0.000 2.153 1.490 0.140
13 MgNTaO2 -39.583 68.351 0.000 2.496 1.902 0.040
14 NaSbO3 -29.324 60.625 0.000 2.666 1.635 0.031
15 FGaPbO2 -27.689 67.485 0.000 3.612 2.804 0.002
16 SnTiO3 -38.659 62.530 0.000 2.393 2.177 0.044
17 GeSrO3 -33.650 58.268 0.000 2.270 1.728 0.073
18 SnSrO3 -32.425 70.948 0.000 3.342 2.783 0.005
19 NSrTaO2 -42.252 69.564 0.000 1.775 1.775 0.184
20 OTaYN2 -46.172 69.056 0.000 2.200 1.944 0.112
21 CsSnI3 -15.677 231.314 0.609 0.608 0.900
22 CsSnBr3 -16.878 191.422 0.893 0.893 0.596
23 CsSnCl3 -18.487 167.078 1.346 1.346 0.384
24 CNSnBr3H6 -54.759 201.201 1.482 1.482 0.354
25 CNSnCl3H6 -56.347 179.927 2.605 2.605 0.059
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