▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaTiO3 | ICSD | 73633 | R3m (160) | ✗ | 5 | 40 | 3 | 2.4045 | 2.715 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 73634 | R3m (160) | ✗ | 5 | 40 | 3 | 2.3562 | 2.657 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 73635 | R3m (160) | ✗ | 5 | 40 | 3 | 2.3746 | 2.677 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 73636 | R3m (160) | ✗ | 5 | 40 | 3 | 2.3575 | 2.655 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 73637 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.1946 | 2.529 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 73638 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.1635 | 2.478 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 73640 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.0864 | 2.362 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 73639 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.0626 | 2.325 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 73641 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.1532 | 2.468 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrFe2 | COD | 1523305 | Fd-3m (227) | ✔ | 6 | 40 | 3 | 0.0 | 0.000 | 0.405 | (0;000) | ✗ | 27/01/17 |
Zr3AlN | ICSD | 29521 | Cmcm (63) | ✔ | 10 | 40 | 3 | 0.0 | 0.000 | 0.916 | (0;000) | ✗ | 05/01/17 |
InBr | ICSD | 23126 | Ccmm (63) | ✔ | 4 | 40 | 3 | 1.3218 | 1.469 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeSe2 | COD | 9012125 | Pnnm (58) | ✔ | 6 | 40 | 3 | 0.2989 | 0.802 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlBr | ICSD | 109144 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.8054 | 1.828 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba(MgAs)2 | ICSD | 30916 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.9654 | 1.350 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(NiAs)2 | ICSD | 609856 | I4/mmm (139) | ✔ | 5 | 40 | 2 | 0.0 | 0.003 | 0.647 | (1;111) | ✗ | 05/01/17 |
Ca(MgAs)2 | COD | 7221199 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 1.1991 | 1.610 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca(NiAs)2 | ICSD | 609910 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.020 | 0.757 | (1;111) | ✗ | 05/01/17 |
Fe2C | ICSD | 162104 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.006 | 0.528 | (1;000) | ✗ | 06/10/16 |
Sr(MgAs)2 | ICSD | 610831 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 1.1971 | 1.468 | 0.000 | (0;000) | ✗ | 05/01/17 |
NiAs2 | COD | 9012572 | Pnnm (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.032 | 0.448 | (1;000) | ✗ | 05/01/17 |
Na3ClO | COD | 9007768 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 2.1182 | 2.118 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiSi2 | ICSD | 168418 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.009 | 0.350 | (0;110) | ✗ | 27/01/17 |
Ca3AsN | ICSD | 56968 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.6838 | 0.684 | 0.000 | (0;000) | ✗ | 05/01/17 |
InCl | ICSD | 2430 | Cmcm (63) | ✔ | 4 | 40 | 1 | 1.443 | 1.529 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlCl | ICSD | 109143 | Cmcm (63) | ✔ | 4 | 40 | 1 | 2.1142 | 2.114 | 0.000 | (0;000) | ✗ | 27/01/17 |
KLi2As | ICSD | 78938 | Pmmn (59) | ✔ | 8 | 40 | 1 | 0.7738 | 0.774 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiAsSe2 | COD | 4102048 | P-1 (2) | ✔ | 8 | 40 | 1 | 0.0 | 0.097 | 0.008 | (0;000) | ✗ | 05/01/17 |
FeTe2 | COD | 9009791 | Pnnm (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.541 | 0.063 | (0;000) | ✗ | 27/01/17 |
MnAs | COD | 9008898 | P6_3/mmc (194) | ✔ | 4 | 40 | 3 | 0.0 | 0.000 | 0.336 | (1;000) | ✗ | 05/01/17 |
CrSe | COD | 9008890 | P6_3/mmc (194) | ✔ | 4 | 40 | 3 | 0.0 | 0.001 | 0.577 | (0;000) | ✗ | 27/01/17 |
Li4CO4 | ICSD | 245388 | P-43m (215) | ✗ | 9 | 40 | 1 | 4.7041 | 5.033 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zr3Fe | COD | 1527778 | Cmcm (63) | ✔ | 8 | 40 | 3 | 0.0 | 0.007 | 0.727 | (1;000) | ✗ | 27/01/17 |
Li4CO4 | ICSD | 245389 | R3m (160) | ✗ | 9 | 40 | 1 | 1.9001 | 1.995 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li4CO4 | ICSD | 245392 | Cm (8) | ✗ | 9 | 40 | 2 | 4.4214 | 4.983 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li4CO4 | ICSD | 245393 | C2 (5) | ✗ | 9 | 40 | 2 | 4.5571 | 4.885 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li4CO4 | ICSD | 245405 | C2 (5) | ✗ | 9 | 40 | 1 | 6.7435 | 6.759 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnN | ICSD | 184928 | P6_3mc (186) | ✗ | 4 | 40 | 3 | 0.0 | 0.027 | 0.121 | (0;000) | ✔ | 06/10/16 |
Ca(GeAu)2 | COD | 7209401 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.093 | 0.745 | (0;000) | ✗ | 05/01/17 |
Ca(SiAu)2 | COD | 7209403 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.028 | 0.718 | (1;000) | ✗ | 05/01/17 |
Sr(GeAu)2 | COD | 7209408 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.080 | 0.713 | (0;000) | ✗ | 05/01/17 |
Sr(SiAu)2 | COD | 7209413 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.028 | 0.714 | (1;000) | ✗ | 05/01/17 |
CrTe | COD | 1525990 | P6_3/mmc (194) | ✔ | 4 | 40 | 3 | 0.0 | 0.009 | 0.342 | (1;000) | ✗ | 27/01/17 |
CrS | COD | 9008888 | P6_3/mmc (194) | ✔ | 4 | 40 | 3 | 0.0 | 0.007 | 0.658 | (0;000) | ✗ | 27/01/17 |
CrS | COD | 9007443 | C2/c (15) | ✔ | 4 | 40 | 3 | 0.0 | 0.008 | 0.657 | (0;000) | ✗ | 27/01/17 |
Al6C3N2 | ICSD | 14399 | R3m (160) | ✗ | 11 | 40 | 3 | 0.0 | 0.001 | 0.475 | (1;000) | ✔ | 06/10/16 |
Al6C3N2 | ICSD | 654993 | R3m (160) | ✗ | 11 | 40 | 3 | 0.0 | 0.000 | 0.475 | (0;000) | ✔ | 06/10/16 |
Zr2Al4C5 | ICSD | 173676 | R3m (160) | ✗ | 11 | 40 | 3 | 0.0 | 0.014 | 0.496 | (0;000) | ✔ | 06/10/16 |
CO | ICSD | 26962 | P2_13 (198) | ✗ | 8 | 40 | 1 | 6.4576 | 6.458 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrB12 | COD | 8100740 | Fm-3m (225) | ✔ | 13 | 40 | 3 | 0.0 | 0.000 | 0.844 | (1;000) | ✗ | 05/01/17 |