▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
B2Mo | ICSD | 167732 | R-3m (166) | ✔ | 6 | 40 | 3 | 0.0 | 0.020 | 0.604 | (0;111) | ✗ | 05/01/17 |
FeS2 | ICSD | 42415 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.8069 | 1.148 | 0.000 | (0;000) | ✗ | 06/10/16 |
BePd2 | ICSD | 107609 | I4/mmm (139) | ✔ | 3 | 40 | 3 | 0.0 | 0.020 | 0.675 | (0;000) | ✗ | 05/01/17 |
FeSe2 | ICSD | 25680 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.2853 | 0.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
GeS | ICSD | 637785 | Pmnb (62) | ✔ | 8 | 40 | 2 | 0.8942 | 1.214 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeTe2 | ICSD | 86518 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.691 | 0.013 | (0;000) | ✗ | 06/10/16 |
CaSb2 | ICSD | 862 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.070 | 0.251 | (1;011) | ✔ | 27/01/17 |
GeS | ICSD | 1256 | Pmcn (62) | ✔ | 8 | 40 | 2 | 1.1038 | 1.104 | 0.000 | (0;000) | ✗ | 06/10/16 |
CoSbS | ICSD | 40044 | Pmn2_1 (31) | ✗ | 6 | 40 | 3 | 0.0 | 0.367 | 0.147 | (0;000) | ✔ | 06/10/16 |
GeSe | ICSD | 17006 | Pmcn (62) | ✔ | 8 | 40 | 2 | 0.5998 | 0.700 | 0.000 | (0;000) | ✗ | 06/10/16 |
GeSe | ICSD | 637852 | Pmnb (62) | ✔ | 8 | 40 | 2 | 0.6476 | 0.829 | 0.000 | (0;000) | ✗ | 06/10/16 |
NiP2 | ICSD | 27160 | C2/c (15) | ✔ | 6 | 40 | 3 | 0.5384 | 0.618 | 0.000 | (0;000) | ✗ | 06/10/16 |
GeTe | ICSD | 638005 | Pnma (62) | ✔ | 8 | 40 | 2 | 0.0 | 0.104 | 0.027 | (0;000) | ✗ | 02/02/17 |
Ti3Ge | ICSD | 189707 | Fm-3m (225) | ✔ | 4 | 40 | 3 | 0.0 | 0.000 | 0.753 | (1;000) | ✗ | 06/10/16 |
NiSb2 | ICSD | 646409 | P2nn (34) | ✗ | 6 | 40 | 3 | 0.0 | 0.012 | 0.493 | (1;000) | ✔ | 06/10/16 |
SiC | ICSD | 107204 | P3m1 (156) | ✗ | 10 | 40 | 3 | 1.7282 | 2.854 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiC | ICSD | 24168 | R3m (160) | ✗ | 10 | 40 | 3 | 1.9506 | 3.262 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfGe2 | ICSD | 16698 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.016 | 0.222 | (1;000) | ✗ | 06/10/16 |
Cs2NiO2 | ICSD | 423923 | I4/mmm (139) | ✔ | 5 | 40 | 1 | 0.0 | 0.030 | 0.744 | (0;000) | ✗ | 27/01/17 |
TiGe2 | ICSD | 638050 | Fddd (70) | ✔ | 6 | 40 | 3 | 0.0 | 0.011 | 0.439 | (1;000) | ✗ | 06/10/16 |
ZrGe2 | ICSD | 16696 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.014 | 0.240 | (1;110) | ✗ | 06/10/16 |
ZrGe2 | ICSD | 56054 | Ccmm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.008 | 0.234 | (1;000) | ✗ | 06/10/16 |
SnO | ICSD | 20624 | P2_1mn (31) | ✗ | 4 | 40 | 3 | 0.0 | 0.237 | 0.107 | (0;000) | ✔ | 06/10/16 |
Ba | ICSD | 109028 | I4/mcm (140) | ✔ | 4 | 40 | 1 | 0.0 | 0.002 | 0.515 | (0;000) | ✗ | 05/01/17 |
BaLi2Si | COD | 7221325 | Pmmn (59) | ✔ | 8 | 40 | 1 | 0.0 | 0.011 | 0.141 | (0;000) | ✗ | 05/01/17 |
Ba(MgP)2 | ICSD | 30914 | P-3m1 (164) | ✔ | 5 | 40 | 1 | 1.1281 | 1.727 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(MgSb)2 | COD | 7221202 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.6084 | 1.317 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaN2 | COD | 4327589 | C2/c (15) | ✔ | 6 | 40 | 1 | 0.0 | 0.022 | 0.618 | (0;000) | ✗ | 05/01/17 |
Ba(NiP)2 | ICSD | 85408 | I4/mmm (139) | ✔ | 5 | 40 | 2 | 0.0 | 0.013 | 0.833 | (1;111) | ✗ | 05/01/17 |
HfSi2 | ICSD | 16697 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.025 | 0.327 | (1;000) | ✗ | 06/10/16 |
BaTiO3 | COD | 5910149 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 1.8554 | 1.915 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaTiO3 | ICSD | 109327 | P4/mmm (123) | ✔ | 5 | 40 | 3 | 0.0 | 0.004 | 0.613 | (0;110) | ✗ | 05/01/17 |
BaPt | COD | 4113101 | P6_3/mmc (194) | ✔ | 4 | 40 | 3 | 0.0 | 0.001 | 0.150 | (0;000) | ✗ | 05/01/17 |
InI | ICSD | 38129 | Ccmm (63) | ✔ | 4 | 40 | 3 | 1.1696 | 1.170 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgH4(ClO)2 | COD | 2103098 | C2/m (12) | ✔ | 9 | 40 | 2 | 5.5706 | 5.571 | 0.000 | (0;000) | ✗ | 27/01/17 |
InI | ICSD | 55181 | Cmcm (63) | ✔ | 4 | 40 | 3 | 0.7644 | 0.832 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrSi2 | ICSD | 16772 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.004 | 0.319 | (1;110) | ✗ | 06/10/16 |
TlI | ICSD | 26761 | Ccmm (63) | ✔ | 4 | 40 | 2 | 1.4715 | 1.656 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr2BBrN2 | ICSD | 261795 | R-3m (166) | ✔ | 6 | 40 | 1 | 2.4699 | 2.958 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiGaGe | ICSD | 25310 | P6_3mc (186) | ✗ | 6 | 40 | 3 | 0.0 | 0.017 | 0.080 | (0;000) | ✔ | 06/10/16 |
TiBe2 | ICSD | 616463 | Fd-3m (227) | ✔ | 6 | 40 | 3 | 0.0 | 0.000 | 0.692 | (0;000) | ✗ | 05/01/17 |
LiBeH3 | COD | 4343939 | Pnma (62) | ✔ | 20 | 40 | 1 | 2.2964 | 2.395 | 0.000 | (0;000) | ✗ | 05/01/17 |
HfBeSi | ICSD | 108103 | P6_3/mmc (194) | ✔ | 6 | 40 | 3 | 0.0 | 0.001 | 0.140 | (1;000) | ✗ | 05/01/17 |
BeO | COD | 2310674 | P4_2/mnm (136) | ✔ | 8 | 40 | 1 | 6.9696 | 6.970 | 0.000 | (0;000) | ✗ | 05/01/17 |
LaRh | ICSD | 641721 | Ccmm (63) | ✔ | 4 | 40 | 3 | 0.0 | 0.011 | 0.109 | (0;000) | ✗ | 06/10/16 |
OsO4 | ICSD | 24672 | C2 (5) | ✗ | 5 | 40 | 1 | 4.2187 | 4.251 | 0.000 | (0;000) | ✗ | 06/10/16 |
TlBiS2 | COD | 2209681 | R-3m (166) | ✔ | 4 | 40 | 2 | 0.0991 | 0.099 | 0.000 | (1;000) | ✗ | 05/01/17 |
TlBiSe2 | ICSD | 617113 | R-3m (166) | ✔ | 4 | 40 | 3 | 0.0837 | 0.084 | 0.000 | (1;000) | ✗ | 05/01/17 |
TlBiTe2 | COD | 2310403 | R-3m (166) | ✔ | 4 | 40 | 3 | 0.0 | 0.197 | 0.022 | (0;000) | ✗ | 05/01/17 |
KNa2BN2 | ICSD | 236557 | I4/mmm (139) | ✔ | 6 | 40 | 1 | 1.9048 | 2.280 | 0.000 | (0;000) | ✗ | 05/01/17 |