Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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 |
| CuN | ICSD | 161756 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.0 | 0.009 | 0.871 | (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 |
| ScN | ICSD | 236779 | F-43m (216) | ✗ | 2 | 16 | 3 | 2.424 | 2.424 | 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 |
| WN2 | ICSD | 290433 | P-6m2 (187) | ✗ | 3 | 24 | 3 | 0.8125 | 1.046 | 0.000 | (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 |
| BN | ICSD | 162880 | Cc (9) | ✗ | 8 | 32 | 3 | 3.3515 | 4.168 | 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 |
| SO2 | ICSD | 24645 | C2ce (41) | ✗ | 6 | 36 | 1 | 2.7868 | 3.412 | 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 |
| BP | ICSD | 615155 | P6_3mc (186) | ✗ | 4 | 16 | 1 | 1.5643 | 1.691 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MnN | ICSD | 236787 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0222 | 0.393 | 0.000 | (0;000) | ✔ | 04/10/16 |
| ZnCl2 | ICSD | 15916 | I-42d (122) | ✗ | 6 | 52 | 3 | 3.8632 | 3.863 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZrCl2 | ICSD | 20144 | R3m (160) | ✗ | 3 | 26 | 2 | 0.8387 | 1.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TcB | ICSD | 168895 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.545 | (1;100) | ✔ | 06/10/16 |
| PtN2 | ICSD | 290445 | P-6m2 (187) | ✗ | 3 | 20 | 3 | 0.0 | 0.007 | 0.161 | (1;100) | ✔ | 06/10/16 |
| TlAs | ICSD | 184574 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.142 | (1;000) | ✔ | 04/10/16 |
| NbP | ICSD | 645167 | I4_1md (109) | ✗ | 4 | 36 | 3 | 0.0 | 0.024 | 0.025 | (1;100) | ✔ | 06/10/16 |
| CoN | ICSD | 161754 | F-43m (216) | ✗ | 2 | 14 | 3 | 0.0 | 0.000 | 0.708 | (1;000) | ✔ | 06/10/16 |
| MnP | ICSD | 191788 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0 | 0.028 | 0.137 | (0;000) | ✔ | 04/10/16 |
| Be5Pd | ICSD | 58729 | F-43m (216) | ✗ | 6 | 30 | 1 | 0.0 | 0.315 | 0.184 | (0;000) | ✔ | 04/10/16 |
| PbO | ICSD | 36250 | Pbc2_1 (29) | ✗ | 8 | 80 | 3 | 1.6145 | 1.935 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ag3Sb | ICSD | 38820 | Pmm2 (25) | ✗ | 4 | 38 | 3 | 0.0 | 0.008 | 0.385 | (1;010) | ✔ | 06/10/16 |
| SnO | ICSD | 424729 | Ccm2_1 (36) | ✗ | 8 | 80 | 2 | 1.2884 | 1.479 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CrSi2 | ICSD | 16836 | P6_222 (180) | ✗ | 9 | 66 | 3 | 0.3285 | 0.492 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CrSi2 | ICSD | 96026 | P6_422 (181) | ✗ | 9 | 66 | 3 | 0.3265 | 0.494 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CuF | ICSD | 52273 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.027 | 0.037 | (1;000) | ✔ | 06/10/16 |
| AlAs | ICSD | 185081 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.3082 | 2.054 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuI | ICSD | 157431 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.9584 | 0.959 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuI | ICSD | 24772 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.9338 | 0.934 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuI | ICSD | 84217 | P3m1 (156) | ✗ | 4 | 36 | 2 | 1.3365 | 1.337 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlAs | ICSD | 67771 | P6_3mc (186) | ✗ | 4 | 16 | 3 | 1.599 | 1.705 | 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 |
| Cu2Se | ICSD | 30230 | F-43m (216) | ✗ | 3 | 28 | 3 | 0.0 | 0.000 | 0.097 | (1;000) | ✔ | 06/10/16 |
| TlF | ICSD | 16112 | Pma2 (28) | ✗ | 8 | 80 | 2 | 1.4283 | 1.431 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgF2 | ICSD | 51242 | Cm2m (38) | ✗ | 3 | 24 | 1 | 0.86 | 0.994 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SbF3 | ICSD | 16142 | Cc2m (40) | ✗ | 8 | 52 | 3 | 4.4474 | 4.748 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeF4 | ICSD | 202558 | I-43m (217) | ✗ | 5 | 32 | 1 | 6.2961 | 6.758 | 0.000 | (0;000) | ✗ | 06/10/16 |
| IrF4 | ICSD | 23483 | F2dd (43) | ✗ | 10 | 74 | 3 | 0.0 | 0.000 | 0.301 | (1;000) | ✔ | 06/10/16 |
| PdF4 | ICSD | 1555 | F2dd (43) | ✗ | 10 | 76 | 3 | 0.6264 | 0.669 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PtF4 | ICSD | 71579 | F2dd (43) | ✗ | 10 | 76 | 3 | 1.3016 | 1.324 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiF4 | ICSD | 14122 | I-43m (217) | ✗ | 5 | 32 | 1 | 8.056 | 8.625 | 0.000 | (0;000) | ✗ | 06/10/16 |
| FeGe | ICSD | 103492 | P2_13 (198) | ✗ | 8 | 48 | 3 | 0.0653 | 0.087 | 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 |
| FeS | ICSD | 68847 | Cmc2_1 (36) | ✗ | 4 | 28 | 3 | 0.0 | 0.028 | 0.242 | (0;000) | ✔ | 06/10/16 |
| FeS2 | ICSD | 42726 | P2nn (34) | ✗ | 6 | 40 | 3 | 0.7907 | 1.143 | 0.000 | (0;000) | ✗ | 06/10/16 |
| FeSb2 | ICSD | 15003 | P2nn (34) | ✗ | 6 | 36 | 3 | 0.0 | 0.112 | 0.057 | (0;000) | ✔ | 06/10/16 |
| FeSi | ICSD | 36188 | P2_13 (198) | ✗ | 8 | 48 | 3 | 0.1202 | 0.156 | 0.000 | (0;000) | ✔ | 06/10/16 |
| FeTe2 | ICSD | 42727 | P2nn (34) | ✗ | 6 | 40 | 3 | 0.0 | 0.598 | 0.025 | (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 |
| GaN | ICSD | 156260 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.9043 | 1.904 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaN | ICSD | 159250 | P6_3mc (186) | ✗ | 4 | 36 | 2 | 0.0 | 0.015 | 0.236 | (1;000) | ✔ | 06/10/16 |
| GaP | ICSD | 103795 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.5678 | 1.791 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaP | ICSD | 190425 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.3812 | 1.457 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaSb | ICSD | 190414 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3208 | 0.324 | 0.000 | (0;000) | ✔ | 06/10/16 |
| GaSb | ICSD | 190426 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.008 | 0.010 | (0;000) | ✔ | 06/10/16 |
| GaSe | ICSD | 601159 | P-6m2 (187) | ✗ | 8 | 76 | 2 | 1.0062 | 1.006 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaSe | ICSD | 73388 | R3m (160) | ✗ | 4 | 38 | 2 | 1.036 | 1.036 | 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 |
| Ga2Se3 | ICSD | 35028 | Cc (9) | ✗ | 10 | 88 | 3 | 1.0285 | 1.029 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeI2 | ICSD | 27674 | P-6m2 (187) | ✗ | 3 | 18 | 3 | 0.7466 | 0.838 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeO2 | ICSD | 16577 | P3_221 (154) | ✗ | 9 | 48 | 3 | 3.7257 | 3.809 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeO2 | ICSD | 200730 | P3_121 (152) | ✗ | 9 | 48 | 3 | 3.7477 | 3.872 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeO2 | ICSD | 23783 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 3.2366 | 3.237 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BiSe | ICSD | 72197 | F2mm (42) | ✗ | 4 | 42 | 2 | 0.0 | 0.033 | 0.537 | (1;110) | ✔ | 06/10/16 |
| GeRu | ICSD | 637744 | P2_13 (198) | ✗ | 8 | 80 | 3 | 0.0317 | 0.132 | 0.000 | (0;000) | ✔ | 06/10/16 |
| GeS2 | ICSD | 167194 | I-42d (122) | ✗ | 6 | 32 | 3 | 2.3808 | 2.735 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeSe2 | ICSD | 50761 | I-42d (122) | ✗ | 6 | 32 | 3 | 1.4346 | 1.788 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeSe2 | ICSD | 90956 | I-4 (82) | ✗ | 6 | 32 | 3 | 0.9941 | 1.393 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeSe2 | ICSD | 90957 | P-4 (81) | ✗ | 12 | 64 | 3 | 0.7241 | 0.727 | 0.000 | (0;000) | ✔ | 10/10/16 |
| GeTe | ICSD | 159907 | R3m (160) | ✗ | 2 | 10 | 3 | 0.3876 | 0.455 | 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 |
| CuH | ICSD | 44859 | P6_3mc (186) | ✗ | 4 | 24 | 3 | 0.5757 | 1.488 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiH8 | ICSD | 169739 | I-4m2 (119) | ✗ | 9 | 12 | 1 | 6.0135 | 6.275 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HfN2 | ICSD | 290427 | P-6m2 (187) | ✗ | 3 | 22 | 3 | 0.0 | 0.033 | 0.203 | (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 |
| ReN | ICSD | 167878 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0 | 0.030 | 0.330 | (1;000) | ✔ | 04/10/16 |
| HgI2 | ICSD | 22242 | Ccm2_1 (36) | ✗ | 6 | 52 | 2 | 1.8395 | 1.994 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiO2 | ICSD | 170513 | R3 (146) | ✗ | 9 | 48 | 0 | 5.7129 | 5.713 | 0.000 | (0;000) | ✗ | 06/10/16 |