▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Br2O | ICSD | 50198 | Pna2_1 (33) | ✗ | 12 | 80 | 2 | 1.0922 | 1.294 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaWO4 | ICSD | 52384 | I4_1/a (88) | ✔ | 12 | 124 | 2 | 4.1591 | 4.294 | 0.000 | (0;000) | ✗ | 11/04/17 |
BiRhS | ICSD | 617013 | P2_13 (198) | ✗ | 12 | 152 | 3 | 0.2752 | 0.801 | 0.000 | (0;000) | ✔ | 24/04/17 |
AlF3 | COD | 1010414 | P321 (150) | ✗ | 12 | 72 | 2 | 0.6871 | 0.806 | 0.000 | (0;000) | ✗ | 15/02/17 |
NbBr5 | COD | 8102968 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.1832 | 0.196 | 0.000 | (0;000) | ✗ | 02/02/17 |
PdSeO4 | ICSD | 416646 | C2/c (15) | ✔ | 12 | 96 | 3 | 1.2734 | 1.404 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrSiPd | ICSD | 648895 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.025 | 0.118 | (1;000) | ✗ | 27/01/17 |
TiSiPd | ICSD | 648877 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.006 | 0.103 | (1;000) | ✗ | 27/01/17 |
Cs2GeSe3 | ICSD | 415215 | C2/m (12) | ✔ | 12 | 80 | 1 | 1.7854 | 1.887 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaAgO | ICSD | 188524 | I-4m2 (119) | ✗ | 12 | 104 | 3 | 1.2628 | 1.270 | 0.000 | (0;000) | ✗ | 07/10/16 |
TiNiGe | ICSD | 53862 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.003 | 0.142 | (1;000) | ✗ | 27/01/17 |
ZrPRu | ICSD | 648038 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.602 | (1;011) | ✗ | 27/01/17 |
RuS2 | COD | 9016356 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.7339 | 0.971 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaNiGe | ICSD | 53861 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.002 | 0.417 | (1;011) | ✗ | 27/01/17 |
ScNiGe | ICSD | 86365 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.001 | 0.703 | (0;011) | ✗ | 27/01/17 |
MoC | ICSD | 618295 | P6_3/mmc (194) | ✔ | 12 | 108 | 3 | 0.0 | 0.004 | 0.904 | (1;000) | ✗ | 27/01/17 |
TaPRu | ICSD | 648031 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.056 | 0.156 | (1;000) | ✗ | 27/01/17 |
AlPS4 | ICSD | 428184 | P-42c (112) | ✗ | 12 | 64 | 2 | 2.6819 | 2.883 | 0.000 | (0;000) | ✗ | 07/10/16 |
AlPO4 | ICSD | 279582 | P6_3mc (186) | ✗ | 12 | 64 | 3 | 5.6277 | 5.628 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlPO4 | ICSD | 280772 | P2_1 (4) | ✗ | 12 | 64 | 3 | 5.6811 | 5.681 | 0.000 | (0;000) | ✗ | 06/10/16 |
Re2P | COD | 9009204 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.001 | 0.574 | (0;011) | ✗ | 27/01/17 |
AlPO4 | ICSD | 280773 | P2_1 (4) | ✗ | 12 | 64 | 3 | 5.6822 | 5.682 | 0.000 | (0;000) | ✗ | 06/10/16 |
PRuS | ICSD | 648023 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.5007 | 0.858 | 0.000 | (0;000) | ✗ | 27/01/17 |
PRuSe | ICSD | 648028 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.5164 | 0.893 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlPO4 | ICSD | 417474 | P2_1 (4) | ✗ | 12 | 64 | 3 | 5.6739 | 5.674 | 0.000 | (0;000) | ✗ | 06/10/16 |
TaPRh | ICSD | 648003 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.001 | 0.346 | (1;011) | ✗ | 27/01/17 |
PRu2 | COD | 9009203 | Pnma (62) | ✔ | 12 | 148 | 3 | 0.0 | 0.002 | 0.449 | (0;011) | ✗ | 27/01/17 |
AlPO4 | ICSD | 417475 | P2_1 (4) | ✗ | 12 | 64 | 3 | 5.6317 | 5.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrPRh | ICSD | 648009 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.044 | 0.038 | (1;000) | ✗ | 27/01/17 |
AlPO4 | ICSD | 97546 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.5105 | 5.511 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlPO4 | ICSD | 98378 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7685 | 5.769 | 0.000 | (0;000) | ✗ | 06/10/16 |
KAgO | ICSD | 25744 | I-4 (82) | ✗ | 12 | 104 | 1 | 1.4553 | 1.701 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2PbO3 | ICSD | 62140 | Cmcm (63) | ✔ | 12 | 100 | 2 | 1.7632 | 1.763 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2ZrO3 | ICSD | 67345 | Cmcm (63) | ✔ | 12 | 80 | 2 | 3.7167 | 3.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlPO4 | ICSD | 98379 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7722 | 5.772 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlPO4 | ICSD | 98380 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7731 | 5.773 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaMoO4 | COD | 2300459 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 4.5904 | 4.590 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlPO4 | ICSD | 98381 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7718 | 5.772 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlPO4 | ICSD | 98382 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7756 | 5.776 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlPO4 | ICSD | 98383 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7651 | 5.765 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlPO4 | ICSD | 98384 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7822 | 5.782 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlPS4 | ICSD | 15910 | P222 (16) | ✗ | 12 | 64 | 2 | 1.5836 | 1.670 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScSiNi | COD | 1523283 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.615 | (0;011) | ✗ | 27/01/17 |
BaNa2 | COD | 7221378 | P6_3/mmc (194) | ✔ | 12 | 112 | 1 | 0.0 | 0.002 | 0.455 | (1;000) | ✗ | 02/02/17 |
VNiGe | ICSD | 637435 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.349 | (1;011) | ✗ | 27/01/17 |
FeCoSi | ICSD | 165250 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.609 | (1;011) | ✗ | 27/01/17 |
Cs2SiS3 | ICSD | 409176 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.0578 | 3.089 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2SnSe3 | ICSD | 67251 | C2/m (12) | ✔ | 12 | 100 | 1 | 1.7375 | 1.738 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2ZrSe3 | COD | 8101657 | Cmcm (63) | ✔ | 12 | 80 | 1 | 1.2811 | 1.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrNiGe | ICSD | 637451 | Pnma (62) | ✔ | 12 | 72 | 3 | 0.0 | 0.020 | 0.122 | (1;000) | ✗ | 27/01/17 |