Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CsTiBr3 | ICSD | 41320 | P6_3/mmc (194) | ✔ | 10 | 84 | 1 | 0.0 | 0.013 | 0.537 | (0;000) | ✗ | 02/02/17 |
| CsVBr3 | COD | 1530067 | P6_3/mmc (194) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.745 | (0;000) | ✗ | 02/02/17 |
| TlFeBr3 | ICSD | 36217 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.2469 | 0.351 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaBr3 | ICSD | 413456 | P2_1/c (14) | ✔ | 16 | 136 | 1 | 3.2077 | 3.208 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li6Br3N | ICSD | 84092 | P2_1/c (14) | ✔ | 20 | 88 | 1 | 2.3159 | 2.316 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbMnBr3 | COD | 1532234 | P6_3/mmc (194) | ✔ | 10 | 90 | 1 | 0.0 | 0.000 | 0.748 | (0;000) | ✗ | 02/02/17 |
| NbSeBr3 | ICSD | 75362 | P2/c (13) | ✔ | 20 | 160 | 1 | 0.6371 | 0.769 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NbSeBr3 | COD | 4030713 | P2/c (13) | ✔ | 20 | 160 | 1 | 0.0742 | 0.158 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PBr3O | COD | 2106216 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.3896 | 3.488 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PBr3 | ICSD | 8052 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.1017 | 3.223 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbVBr3 | COD | 1530069 | P6_3/mmc (194) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.658 | (0;000) | ✗ | 02/02/17 |
| RuBr3 | COD | 4000457 | P6_3/mcm (193) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.768 | (0;000) | ✗ | 02/02/17 |
| ZrBr3 | ICSD | 23945 | P6_3/mcm (193) | ✔ | 8 | 50 | 1 | 0.0 | 0.000 | 0.543 | (0;000) | ✗ | 02/02/17 |
| Cs2Pd(IBr2)2 | ICSD | 240481 | I4/mmm (139) | ✔ | 9 | 78 | 1 | 0.0 | 0.409 | 0.097 | (0;000) | ✗ | 02/02/17 |
| Rb2Pd(IBr2)2 | ICSD | 412835 | I4/mmm (139) | ✔ | 9 | 78 | 1 | 0.6102 | 0.941 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2PdBr4 | COD | 2106711 | P4/mmm (123) | ✔ | 7 | 64 | 1 | 1.1261 | 1.126 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiBr4 | COD | 2105707 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 4.2129 | 4.288 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SnBr4 | ICSD | 51570 | P2_1/c (14) | ✔ | 20 | 168 | 1 | 2.8007 | 2.801 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs3FeBr5 | ICSD | 4065 | I4/mcm (140) | ✔ | 18 | 140 | 1 | 0.0 | 0.002 | 0.201 | (1;111) | ✗ | 02/02/17 |
| Cs3MnBr5 | COD | 1523976 | I4/mcm (140) | ✔ | 18 | 154 | 1 | 0.0 | 0.000 | 0.184 | (0;111) | ✗ | 02/02/17 |
| Cs2WBr6 | ICSD | 402441 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.286 | (0;000) | ✗ | 02/02/17 |
| K2PtBr6 | COD | 5910135 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.0213 | 1.115 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2TeBr6 | ICSD | 37270 | P4/mnc (128) | ✔ | 18 | 132 | 1 | 1.6962 | 1.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3ScBr6 | ICSD | 401335 | P-31c (163) | ✔ | 20 | 160 | 1 | 3.3129 | 3.319 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3YBr6 | ICSD | 82355 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 4.1906 | 4.214 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TeBr6 | ICSD | 38347 | P4/mnc (128) | ✔ | 14 | 96 | 1 | 0.0 | 0.004 | 0.263 | (0;000) | ✗ | 02/02/17 |
| Cs5Nb2S4Br9 | ICSD | 410590 | Immm (71) | ✔ | 20 | 158 | 1 | 1.7015 | 1.702 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbBS3 | COD | 1511306 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 2.3694 | 2.627 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsBrF4 | ICSD | 426292 | Immm (71) | ✔ | 12 | 88 | 1 | 2.8511 | 2.867 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsI2Br | ICSD | 23120 | Pnma (62) | ✔ | 16 | 120 | 1 | 1.8017 | 1.820 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuH6BrN2 | COD | 7104068 | C2/c (15) | ✔ | 20 | 68 | 1 | 2.3525 | 2.353 | 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 |
| Sr2FeBrO3 | ICSD | 93509 | P4/nmm (129) | ✔ | 14 | 106 | 1 | 0.0 | 0.000 | 0.782 | (0;000) | ✗ | 02/02/17 |
| LiH2BrO | ICSD | 391154 | Cmcm (63) | ✔ | 20 | 72 | 1 | 4.4428 | 4.473 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaGaH4 | ICSD | 67309 | Cmcm (63) | ✔ | 12 | 52 | 1 | 4.9199 | 5.162 | 0.000 | (0;000) | ✗ | 27/01/17 |
| 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 |
| MgF2 | ICSD | 51242 | Cm2m (38) | ✗ | 3 | 24 | 1 | 0.86 | 0.994 | 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 |
| CaAs3 | ICSD | 193 | P-1 (2) | ✔ | 8 | 50 | 1 | 0.0 | 0.060 | 0.008 | (1;100) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 162670 | I-4m2 (119) | ✗ | 6 | 32 | 1 | 0.0 | 0.004 | 0.252 | (1;111) | ✔ | 07/10/16 |
| BeO | ICSD | 601160 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 7.4832 | 7.483 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaAu | ICSD | 54978 | Cmcm (63) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.634 | (0;000) | ✗ | 05/01/17 |
| BaSiC | ICSD | 168413 | I4mm (107) | ✗ | 3 | 18 | 1 | 0.0347 | 0.793 | 0.000 | (0;000) | ✔ | 07/10/16 |
| K4CO4 | ICSD | 245419 | I-42m (121) | ✗ | 9 | 64 | 1 | 0.7444 | 0.744 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Li4CO4 | ICSD | 245390 | I-42m (121) | ✗ | 9 | 40 | 1 | 4.7493 | 5.069 | 0.000 | (0;000) | ✗ | 07/10/16 |
| SiF4 | ICSD | 14122 | I-43m (217) | ✗ | 5 | 32 | 1 | 8.056 | 8.625 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPS4 | ICSD | 428185 | I222 (23) | ✗ | 6 | 32 | 1 | 2.5158 | 2.670 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245408 | I-42m (121) | ✗ | 9 | 64 | 1 | 3.1526 | 3.153 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Rb4CO4 | ICSD | 245431 | I-42m (121) | ✗ | 9 | 64 | 1 | 0.7962 | 0.908 | 0.000 | (0;000) | ✗ | 07/10/16 |
| BeS | ICSD | 183373 | F-43m (216) | ✗ | 2 | 10 | 1 | 3.0264 | 5.598 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AuCl2 | ICSD | 201436 | P-1 (2) | ✔ | 12 | 100 | 1 | 0.7861 | 1.208 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BBr3 | ICSD | 173374 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 3.5823 | 3.889 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BCl3 | ICSD | 24526 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 3.2389 | 3.347 | 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 |
| BI3 | ICSD | 173375 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 2.4262 | 2.516 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KSnSe2 | ICSD | 153907 | I4cm (108) | ✗ | 8 | 70 | 1 | 0.0 | 0.000 | 0.296 | (1;111) | ✔ | 07/10/16 |
| K3NbO8 | ICSD | 30405 | I-42m (121) | ✗ | 12 | 88 | 1 | 1.5824 | 1.656 | 0.000 | (0;000) | ✗ | 07/10/16 |
| K3TaO8 | ICSD | 30406 | I-42m (121) | ✗ | 12 | 88 | 1 | 2.2024 | 2.276 | 0.000 | (0;000) | ✗ | 07/10/16 |
| BeTe | ICSD | 183375 | F-43m (216) | ✗ | 2 | 10 | 1 | 1.572 | 3.253 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaLiAs | ICSD | 56445 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.4512 | 0.451 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Na6PbO5 | ICSD | 15102 | I4mm (107) | ✗ | 12 | 98 | 1 | 1.4651 | 1.529 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Rb3NbO8 | ICSD | 407327 | I-42m (121) | ✗ | 12 | 88 | 1 | 3.0135 | 3.184 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Rb3TaO8 | ICSD | 150280 | I-42m (121) | ✗ | 12 | 88 | 1 | 2.9156 | 3.105 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Ag2S | ICSD | 98453 | P2_1 (4) | ✗ | 6 | 56 | 1 | 0.0 | 0.113 | 0.106 | (1;000) | ✔ | 04/10/16 |
| MoBr3 | ICSD | 9422 | Cm2m (38) | ✗ | 8 | 70 | 1 | 0.0 | 0.011 | 0.407 | (0;110) | ✔ | 04/10/16 |
| LiIO3 | ICSD | 35475 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.8193 | 3.892 | 0.000 | (0;000) | ✗ | 29/11/16 |
| SrSb2 | ICSD | 52307 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.140 | 0.143 | (0;010) | ✔ | 27/01/17 |
| 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 |
| KSnAs | ICSD | 610765 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.5034 | 0.530 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HfBe2 | ICSD | 616288 | P6/mmm (191) | ✔ | 3 | 20 | 1 | 0.0 | 0.009 | 0.660 | (0;000) | ✗ | 05/01/17 |
| Mg(BeN)2 | ICSD | 413358 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 4.042 | 4.949 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaGe | ICSD | 52688 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.011 | 0.146 | (0;110) | ✗ | 06/10/16 |
| BaIn | ICSD | 414228 | Cmcm (63) | ✔ | 8 | 92 | 1 | 0.0 | 0.011 | 0.250 | (1;000) | ✗ | 02/02/17 |
| KSnAs | ICSD | 65413 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.4164 | 0.458 | 0.000 | (0;000) | ✔ | 06/10/16 |
| NaBeH3 | COD | 4343940 | Pm-3m (221) | ✔ | 5 | 16 | 1 | 1.0974 | 4.012 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Be | ICSD | 52708 | Im-3m (229) | ✔ | 1 | 4 | 1 | 0.0 | 0.001 | 0.284 | (1;000) | ✗ | 05/01/17 |
| Be | COD | 9012017 | P6_3/mmc (194) | ✔ | 2 | 8 | 1 | 0.0 | 0.001 | 0.153 | (1;000) | ✗ | 05/01/17 |
| LiAsS2 | ICSD | 419061 | Cc (9) | ✗ | 8 | 40 | 1 | 1.0844 | 1.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeSe | ICSD | 53934 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 0.0 | 2.642 | 0.027 | (0;000) | ✗ | 05/01/17 |
| LiAsSe2 | ICSD | 248116 | Cc (9) | ✗ | 8 | 40 | 1 | 0.6983 | 0.797 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiAsSe2 | ICSD | 248118 | P-1 (2) | ✔ | 8 | 40 | 1 | 0.0 | 0.096 | 0.008 | (0;000) | ✗ | 06/10/16 |
| BaPb | ICSD | 58664 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.085 | 0.123 | (0;110) | ✗ | 06/10/16 |
| BaSi | ICSD | 191760 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.020 | 0.547 | (1;110) | ✗ | 06/10/16 |
| CaF2 | COD | 9007069 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 7.9254 | 8.174 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaN2 | ICSD | 423721 | I4/mmm (139) | ✔ | 3 | 20 | 1 | 0.0 | 0.006 | 0.578 | (0;000) | ✗ | 27/01/17 |
| CaO2 | ICSD | 20275 | I4/mmm (139) | ✔ | 3 | 22 | 1 | 1.5999 | 1.600 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca | COD | 9012917 | Pm-3m (221) | ✔ | 1 | 10 | 1 | 0.0 | 0.000 | 0.233 | (0;000) | ✗ | 27/01/17 |
| CaO | COD | 9006708 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.649 | 4.030 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaSn | ICSD | 58678 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.023 | 0.135 | (0;110) | ✗ | 05/01/17 |
| NaSrAs | ICSD | 402448 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.8323 | 0.832 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Be2C | COD | 9009053 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 1.1755 | 4.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba2Bi | ICSD | 2141 | I4/mmm (139) | ✔ | 6 | 70 | 1 | 0.0 | 0.014 | 0.226 | (0;111) | ✗ | 02/02/17 |
| Ca2Bi | ICSD | 42136 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.059 | 0.073 | (0;000) | ✗ | 06/10/16 |
| Ba2CdAs2 | ICSD | 422941 | Cmc2_1 (36) | ✗ | 10 | 84 | 1 | 0.4169 | 0.417 | 0.000 | (0;000) | ✔ | 28/11/16 |
| LiCl | COD | 1011314 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 6.2774 | 6.277 | 0.000 | (0;000) | ✗ | 27/01/17 |
| C | COD | 4313211 | Fm-3m (225) | ✔ | 1 | 4 | 1 | 0.0 | 0.005 | 0.580 | (0;000) | ✗ | 27/01/17 |
| Ca2CdAs2 | ICSD | 422579 | Ccm2_1 (36) | ✗ | 10 | 84 | 1 | 0.8205 | 0.821 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr2CdAs2 | ICSD | 422940 | Ccm2_1 (36) | ✗ | 10 | 84 | 1 | 0.5433 | 0.543 | 0.000 | (0;000) | ✗ | 06/10/16 |