▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NiSbS | ICSD | 38843 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 1.000 | ? | ✗ | 06/10/16 |
AsPdS | ICSD | 93903 | P2_13 (198) | ✗ | 12 | 116 | 3 | 0.0 | 0.000 | 0.603 | (1;000) | ✔ | 28/11/16 |
TaNO | COD | 1528855 | C2/m (12) | ✔ | 12 | 96 | 3 | 2.3632 | 2.515 | 0.000 | (0;000) | ✗ | 27/01/17 |
AsPdSe | ICSD | 93904 | P2_13 (198) | ✗ | 12 | 116 | 3 | 0.0 | 0.000 | 0.714 | (0;101) | ✔ | 28/11/16 |
MgH2 | ICSD | 155809 | Pnma (62) | ✔ | 12 | 48 | 1 | 1.7913 | 3.828 | 0.000 | (0;000) | ✗ | 27/01/17 |
CrCuO4 | ICSD | 183216 | Cmcm (63) | ✔ | 12 | 98 | 3 | 0.0 | 0.000 | 0.580 | (0;000) | ✗ | 27/01/17 |
ZrCr2 | COD | 1525357 | P6_3/mmc (194) | ✔ | 12 | 128 | 3 | 0.0 | 0.001 | 0.731 | (1;000) | ✗ | 27/01/17 |
RbCu2I3 | ICSD | 65250 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.8872 | 1.887 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiPS | ICSD | 93898 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.591 | ? | ✗ | 06/10/16 |
CsBrF4 | ICSD | 426292 | Immm (71) | ✔ | 12 | 88 | 1 | 2.8511 | 2.867 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdMoO4 | COD | 1001800 | I4_1/a (88) | ✔ | 12 | 100 | 3 | 2.5086 | 2.554 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgH2 | ICSD | 155808 | Pbcn (60) | ✔ | 12 | 48 | 1 | 3.6029 | 3.778 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdSO4 | ICSD | 130014 | P-3m1 (164) | ✔ | 12 | 84 | 3 | 0.0 | 0.017 | 0.574 | (0;001) | ✗ | 27/01/17 |
PbBrCl | ICSD | 45881 | Pnma (62) | ✔ | 12 | 112 | 2 | 2.9126 | 3.004 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdO2 | ICSD | 36151 | Pa3 (205) | ✔ | 12 | 96 | 3 | 1.3975 | 1.441 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaNO | COD | 1525454 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 1.9538 | 2.162 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaCo2 | ICSD | 108151 | P6_3/mmc (194) | ✔ | 12 | 188 | 3 | 0.0 | 0.008 | 0.407 | (0;000) | ✗ | 27/01/17 |
CsBrO4 | COD | 4031454 | I4_1/amd (141) | ✔ | 12 | 80 | 1 | 3.8217 | 3.822 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cd2As3Br | ICSD | 100815 | Cc (9) | ✗ | 12 | 92 | 3 | 0.7894 | 1.283 | 0.000 | (0;000) | ✗ | 06/10/16 |
VH2O3 | ICSD | 16727 | C2/c (15) | ✔ | 12 | 66 | 2 | 0.0 | 0.000 | 0.336 | (1;101) | ✗ | 27/01/17 |
Cd2As3I | ICSD | 8216 | Cc (9) | ✗ | 12 | 92 | 3 | 0.8427 | 1.115 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2SiO3 | ICSD | 24664 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 4.1761 | 4.502 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrTe5 | ICSD | 85506 | Cmcm (63) | ✔ | 12 | 68 | 2 | 0.0 | 0.041 | 0.021 | (1;110) | ✗ | 02/02/17 |
KBrF4 | COD | 1524295 | I4/mcm (140) | ✔ | 12 | 88 | 1 | 3.5441 | 3.575 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiCu2Te3 | ICSD | 402631 | C2/m (12) | ✔ | 12 | 104 | 3 | 0.0 | 0.016 | 0.199 | (0;000) | ✗ | 02/02/17 |
ZrCu2Te3 | ICSD | 56463 | C2/m (12) | ✔ | 12 | 88 | 3 | 0.0 | 0.026 | 0.134 | (0;000) | ✗ | 02/02/17 |
KCu3S2 | COD | 7221193 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.4298 | 0.463 | 0.000 | (0;000) | ✗ | 02/02/17 |
KCu3Te2 | COD | 1525201 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.3579 | 0.358 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgH2 | ICSD | 168832 | Pa3 (205) | ✔ | 12 | 48 | 1 | 2.6473 | 3.399 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbCu3S2 | COD | 8100809 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.4589 | 0.459 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlCu3S2 | ICSD | 23290 | C2/m (12) | ✔ | 12 | 116 | 2 | 0.2949 | 0.429 | 0.000 | (0;000) | ✗ | 02/02/17 |
GeO2 | ICSD | 23783 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 3.2366 | 3.237 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbSbBrF3 | ICSD | 200109 | P-1 (2) | ✔ | 12 | 84 | 1 | 3.7376 | 3.872 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlCu3Se2 | ICSD | 68524 | C2/m (12) | ✔ | 12 | 116 | 2 | 0.1018 | 0.214 | 0.000 | (0;000) | ✗ | 02/02/17 |
KBrF4 | COD | 2310667 | I4/mcm (140) | ✔ | 12 | 88 | 1 | 0.0 | 0.016 | 0.097 | (0;000) | ✗ | 02/02/17 |
PH2NO2 | ICSD | 26929 | Cmme (67) | ✔ | 12 | 48 | 1 | 0.0 | 0.006 | 0.301 | (0;000) | ✗ | 27/01/17 |
BaZn5 | ICSD | 616174 | Cmcm (63) | ✔ | 12 | 140 | 3 | 0.0 | 0.005 | 0.532 | (1;110) | ✗ | 02/02/17 |
KS | ICSD | 73171 | P-62m (189) | ✗ | 12 | 90 | 1 | 1.4274 | 1.780 | 0.000 | (0;000) | ✗ | 29/03/17 |
GeP | ICSD | 637492 | C2/m (12) | ✔ | 12 | 54 | 3 | 0.4879 | 0.651 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2SiO3 | ICSD | 74640 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 4.2212 | 4.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbBrF4 | ICSD | 65713 | I4/mcm (140) | ✔ | 12 | 88 | 2 | 3.8888 | 3.889 | 0.000 | (0;000) | ✗ | 02/02/17 |
InTeBr | COD | 1524712 | P2_1/c (14) | ✔ | 12 | 104 | 2 | 1.6209 | 1.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaSi2Pd3 | ICSD | 41686 | I2mm (44) | ✗ | 12 | 94 | 3 | 0.0 | 0.005 | 0.525 | ? | ✗ | 06/10/16 |
HfSiO4 | COD | 9000852 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 5.4533 | 5.848 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mn2Co3Ge | ICSD | 52972 | P6_3/mmc (194) | ✔ | 12 | 170 | 3 | 0.0 | 0.000 | 0.829 | (0;000) | ✗ | 27/01/17 |
Cs3BP2 | COD | 8103455 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.8676 | 1.908 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb2Co3Si | ICSD | 53018 | P6_3/mmc (194) | ✔ | 12 | 162 | 3 | 0.0 | 0.000 | 0.793 | (1;000) | ✗ | 27/01/17 |
ReO2 | COD | 9009092 | Pbcn (60) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.364 | (0;011) | ✗ | 27/01/17 |
SrH2 | ICSD | 155988 | Pnma (62) | ✔ | 12 | 48 | 1 | 3.1611 | 3.845 | 0.000 | (0;000) | ✗ | 27/01/17 |
YCrO4 | ICSD | 157934 | I4_1/a (88) | ✔ | 12 | 98 | 3 | 0.0 | 0.000 | 0.671 | (1;111) | ✗ | 27/01/17 |