Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▴ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| BaN2 | ICSD | 280681 | C2/c (15) | ✔ | 6 | 40 | 1 | 0.0 | 0.007 | 0.652 | (0;000) | ✔ | 06/10/16 |
| BaS2 | ICSD | 2004 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5522 | 1.591 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaS3 | ICSD | 23637 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 1.3893 | 1.418 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaSe2 | ICSD | 16358 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.009 | 1.076 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaSe3 | ICSD | 16359 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 0.9646 | 1.065 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaTe3 | ICSD | 36366 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 0.719 | 0.730 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeF2 | ICSD | 261194 | P3_121 (152) | ✗ | 9 | 54 | 3 | 8.5108 | 8.658 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeF2 | ICSD | 9481 | P6_222 (180) | ✗ | 9 | 54 | 1 | 8.125 | 8.200 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeO | ICSD | 163467 | F-43m (216) | ✗ | 2 | 10 | 1 | 6.9092 | 7.605 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeO | ICSD | 601160 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 7.4832 | 7.483 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BePo | ICSD | 58730 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.8057 | 1.059 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeS | ICSD | 183373 | F-43m (216) | ✗ | 2 | 10 | 1 | 3.0264 | 5.598 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeSe | ICSD | 183374 | F-43m (216) | ✗ | 2 | 10 | 1 | 2.4499 | 4.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeTe | ICSD | 183375 | F-43m (216) | ✗ | 2 | 10 | 1 | 1.572 | 3.253 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Be3N2 | ICSD | 185490 | R3m (160) | ✗ | 5 | 22 | 1 | 2.7756 | 3.816 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Be5Pt | ICSD | 616395 | F-43m (216) | ✗ | 6 | 30 | 1 | 0.0 | 0.584 | 0.071 | (0;000) | ✔ | 06/10/16 |
| BiBr3 | ICSD | 100294 | C2/m (12) | ✔ | 8 | 72 | 2 | 2.0254 | 2.057 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BiF3 | ICSD | 25567 | P-43m (215) | ✗ | 16 | 104 | 3 | 2.8752 | 2.876 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaBi | ICSD | 167768 | F-43m (216) | ✗ | 2 | 28 | 3 | 0.0 | 0.000 | 0.253 | (1;000) | ✔ | 06/10/16 |
| BiI3 | ICSD | 187608 | P2_1 (4) | ✗ | 8 | 52 | 3 | 0.0 | 0.431 | 0.407 | (0;000) | ✔ | 06/10/16 |
| InBi | ICSD | 184573 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.245 | (1;000) | ✔ | 06/10/16 |
| BiSe | ICSD | 72197 | F2mm (42) | ✗ | 4 | 42 | 2 | 0.0 | 0.033 | 0.537 | (1;110) | ✔ | 06/10/16 |
| Bi2O3 | ICSD | 168808 | P-4m2 (115) | ✗ | 5 | 28 | 3 | 0.0567 | 0.494 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Bi2O3 | ICSD | 168810 | R3m (160) | ✗ | 10 | 56 | 2 | 2.2643 | 2.309 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2O3 | ICSD | 168812 | P-42_1c (114) | ✗ | 20 | 112 | 3 | 1.4533 | 1.453 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2O3 | ICSD | 169685 | P31c (159) | ✗ | 20 | 112 | 3 | 1.2724 | 1.273 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2O3 | ICSD | 422451 | P6_3mc (186) | ✗ | 20 | 112 | 3 | 1.424 | 1.583 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2Pd | ICSD | 42565 | C2/m (12) | ✔ | 6 | 80 | 3 | 0.0 | 0.126 | 0.692 | (1;000) | ✔ | 06/10/16 |
| Bi2Pt | ICSD | 428088 | P31m (157) | ✗ | 9 | 60 | 3 | 0.0 | 0.005 | 0.393 | (0;000) | ✔ | 06/10/16 |
| Bi2Te3 | ICSD | 20289 | R3m (160) | ✗ | 5 | 28 | 3 | 0.0 | 0.026 | 0.183 | (1;111) | ✔ | 06/10/16 |
| BrCl | ICSD | 424850 | Cmc2_1 (36) | ✗ | 4 | 28 | 1 | 1.895 | 1.911 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuBr | ICSD | 23989 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3072 | 0.310 | 0.000 | (0;000) | ✔ | 06/10/16 |
| BrF3 | ICSD | 31689 | Ccm2_1 (36) | ✗ | 8 | 56 | 1 | 2.3987 | 2.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BrF5 | ICSD | 31690 | Ccm2_1 (36) | ✗ | 12 | 84 | 1 | 4.0507 | 4.134 | 0.000 | (0;000) | ✗ | 06/10/16 |
| IBr | ICSD | 22120 | Cmc2_1 (36) | ✗ | 4 | 28 | 1 | 1.2772 | 1.287 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdBr2 | ICSD | 25782 | P6_3mc (186) | ✗ | 6 | 52 | 2 | 2.6943 | 2.694 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HgBr2 | ICSD | 151889 | P3 (143) | ✗ | 9 | 78 | 2 | 1.0032 | 1.272 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HgBr2 | ICSD | 36158 | Ccm2_1 (36) | ✗ | 6 | 52 | 2 | 2.1612 | 2.218 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SBr | ICSD | 37020 | Cc2e (41) | ✗ | 8 | 52 | 1 | 2.0962 | 2.254 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SeBr | ICSD | 37019 | Cc2e (41) | ✗ | 8 | 52 | 1 | 1.6226 | 1.760 | 0.000 | (0;000) | ✗ | 06/10/16 |
| IrBr3 | ICSD | 14212 | C2/m (12) | ✔ | 8 | 60 | 2 | 1.4173 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RuBr3 | ICSD | 28119 | Cm2m (38) | ✗ | 8 | 74 | 1 | 0.0 | 0.064 | 0.330 | (0;000) | ✔ | 06/10/16 |
| CdC | ICSD | 183178 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.0 | 0.000 | 0.842 | (0;000) | ✔ | 06/10/16 |
| CrC | ICSD | 181709 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.443 | (0;100) | ✔ | 06/10/16 |
| CF4 | ICSD | 2848 | C2/c (15) | ✔ | 10 | 64 | 1 | 9.4116 | 9.472 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeC | ICSD | 182363 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.5913 | 3.553 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HC | ICSD | 187642 | I2_13 (199) | ✗ | 8 | 20 | 3 | 4.8022 | 6.465 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HfC | ICSD | 185992 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.2904 | 0.290 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CI4 | ICSD | 30789 | I-42m (121) | ✗ | 5 | 32 | 1 | 0.9413 | 0.943 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MoC | ICSD | 183166 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.417 | (0;000) | ✔ | 06/10/16 |
| MoC | ICSD | 618300 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.384 | (0;100) | ✔ | 06/10/16 |
| CN2 | ICSD | 247676 | P-42_1m (113) | ✗ | 6 | 28 | 2 | 4.6848 | 4.993 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CN2 | ICSD | 247678 | I-4m2 (119) | ✗ | 3 | 14 | 3 | 0.1717 | 0.173 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CN2 | ICSD | 247680 | Cmc2_1 (36) | ✗ | 6 | 28 | 3 | 1.1333 | 1.133 | 0.000 | (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 |
| CO2 | ICSD | 188890 | I-42d (122) | ✗ | 6 | 32 | 3 | 7.0217 | 7.119 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CO2 | ICSD | 188894 | P4_12_12 (92) | ✗ | 12 | 64 | 1 | 2.6623 | 3.604 | 0.000 | (0;000) | ✗ | 06/10/16 |
| OsC | ICSD | 169403 | P-6m2 (187) | ✗ | 2 | 20 | 3 | 0.0 | 0.000 | 0.436 | (0;100) | ✔ | 06/10/16 |
| OsC | ICSD | 185996 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0 | 0.341 | 0.015 | (0;000) | ✔ | 06/10/16 |
| PdC | ICSD | 183174 | F-43m (216) | ✗ | 2 | 14 | 3 | 0.0 | 0.000 | 0.717 | (1;000) | ✔ | 06/10/16 |
| PtC | ICSD | 169405 | P-6m2 (187) | ✗ | 2 | 14 | 3 | 0.0 | 0.012 | 0.443 | (1;000) | ✔ | 06/10/16 |
| PtC | ICSD | 181113 | F-43m (216) | ✗ | 2 | 14 | 3 | 0.0 | 0.018 | 0.705 | (1;000) | ✔ | 06/10/16 |
| RuC | ICSD | 181771 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.5257 | 0.839 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RuC | ICSD | 43671 | P-6m2 (187) | ✗ | 2 | 20 | 3 | 0.0 | 0.015 | 0.329 | (0;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 | 164973 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.3623 | 4.548 | 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 |
| SnC | ICSD | 182365 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.4951 | 0.495 | 0.000 | (0;000) | ✔ | 06/10/16 |
| ZrC | ICSD | 183162 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.3943 | 0.467 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CaC2 | ICSD | 24074 | C2/c (15) | ✔ | 6 | 36 | 1 | 2.3901 | 2.972 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaC2 | ICSD | 290833 | C2/m (12) | ✔ | 6 | 36 | 1 | 2.378 | 2.794 | 0.000 | (0;000) | ✗ | 06/10/16 |
| IrC2 | ICSD | 181488 | C2/m (12) | ✔ | 6 | 34 | 3 | 0.0 | 0.078 | 0.242 | (0;000) | ✔ | 06/10/16 |
| SrC2 | ICSD | 91051 | C2/c (15) | ✔ | 6 | 36 | 1 | 2.457 | 2.716 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al4C3 | ICSD | 14397 | R3m (160) | ✗ | 7 | 24 | 3 | 0.8906 | 1.617 | 0.000 | (0;000) | ✗ | 06/10/16 |
| C3N4 | ICSD | 246660 | R3m (160) | ✗ | 7 | 32 | 2 | 1.2528 | 1.275 | 0.000 | (0;000) | ✗ | 06/10/16 |
| C3N4 | ICSD | 248430 | P-6 (174) | ✗ | 7 | 32 | 1 | 0.0 | 0.001 | 0.871 | (0;000) | ✔ | 06/10/16 |
| C3N4 | ICSD | 83264 | P-43m (215) | ✗ | 7 | 32 | 3 | 2.5786 | 2.579 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaCl2 | ICSD | 51238 | Pm2_1n (31) | ✗ | 6 | 48 | 1 | 0.051 | 0.084 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CaF2 | ICSD | 51239 | Pmc2_1 (26) | ✗ | 6 | 48 | 1 | 6.5997 | 6.813 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaSe | ICSD | 167834 | F-43m (216) | ✗ | 2 | 16 | 1 | 3.0584 | 3.136 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca2Sb | ICSD | 154 | I4mm (107) | ✗ | 6 | 50 | 1 | 0.0 | 0.091 | 0.055 | (0;000) | ✔ | 06/10/16 |
| CdI2 | ICSD | 38116 | P6_3mc (186) | ✗ | 6 | 52 | 2 | 1.9181 | 2.127 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdP4 | ICSD | 25605 | P2_1/c (14) | ✔ | 10 | 64 | 2 | 0.4602 | 0.528 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CdPo | ICSD | 102047 | F-43m (216) | ✗ | 2 | 28 | 3 | 0.0 | 0.000 | 0.009 | (1;000) | ✔ | 06/10/16 |
| CdS | ICSD | 159379 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.1498 | 1.150 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdS | ICSD | 600773 | I2mm (44) | ✗ | 2 | 18 | 3 | 0.0 | 2.665 | 0.027 | (0;000) | ✔ | 06/10/16 |
| CdS | ICSD | 60629 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.2121 | 1.212 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdSe | ICSD | 180931 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3656 | 0.366 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CdSe | ICSD | 415786 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5591 | 0.559 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdTe | ICSD | 108237 | Pm2m (25) | ✗ | 2 | 18 | 3 | 0.0 | 0.032 | 0.374 | (0;110) | ✔ | 06/10/16 |
| CdTe | ICSD | 108238 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.528 | 0.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdTe | ICSD | 150941 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5613 | 0.561 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdTe | ICSD | 67862 | P3_121 (152) | ✗ | 6 | 54 | 3 | 0.5051 | 0.741 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuCl | ICSD | 23988 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3607 | 0.361 | 0.000 | (0;000) | ✔ | 06/10/16 |
| InCl | ICSD | 2431 | Cc2m (40) | ✗ | 4 | 40 | 1 | 1.4421 | 1.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
| InCl | ICSD | 2432 | Ccm2_1 (36) | ✗ | 4 | 40 | 3 | 1.4416 | 1.525 | 0.000 | (0;000) | ✗ | 06/10/16 |
| N3Cl | ICSD | 424502 | Cmc2_1 (36) | ✗ | 8 | 44 | 1 | 2.3446 | 2.370 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgCl2 | ICSD | 51245 | P-4m2 (115) | ✗ | 3 | 24 | 2 | 4.679 | 5.054 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgCl2 | ICSD | 51246 | C2cm (40) | ✗ | 6 | 48 | 2 | 0.0 | 0.022 | 0.250 | (1;000) | ✔ | 06/10/16 |
| ZnCl2 | ICSD | 15916 | I-42d (122) | ✗ | 6 | 52 | 3 | 3.8632 | 3.863 | 0.000 | (0;000) | ✗ | 06/10/16 |