| ▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| K2TeOF4 | ICSD | 412955 | Cmcm (63) | ✔ | 16 | 116 | 1 | 5.1391 | 5.288 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na5CuSO2 | ICSD | 412977 | P4/mmm (123) | ✔ | 9 | 74 | 1 | 1.5015 | 1.594 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na5CoSO2 | ICSD | 412978 | P4/mmm (123) | ✔ | 9 | 80 | 1 | 0.0 | 0.066 | 0.218 | (0;000) | ✗ | 27/01/17 |
| Na2S2O7 | ICSD | 413049 | P-1 (2) | ✔ | 22 | 144 | 1 | 5.6454 | 5.752 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li2H2SeO5 | ICSD | 413060 | P2_1 (4) | ✗ | 20 | 88 | 1 | 4.6429 | 4.680 | 0.000 | (0;000) | ✗ | 28/03/17 |
| Cs2MnSnTe4 | ICSD | 413084 | Fddd (70) | ✔ | 16 | 142 | 1 | 0.0 | 0.000 | 0.689 | (1;111) | ✗ | 22/03/17 |
| KAsO2 | ICSD | 413149 | Pbcm (57) | ✔ | 16 | 104 | 1 | 3.8754 | 3.965 | 0.000 | (0;000) | ✗ | 30/01/17 |
| RbAsO2 | ICSD | 413150 | Pbcm (57) | ✔ | 16 | 104 | 1 | 4.0164 | 4.019 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cs3As5O9 | ICSD | 413151 | P31m (157) | ✗ | 17 | 106 | 1 | 3.3799 | 3.469 | 0.000 | (0;000) | ✗ | 21/03/17 |
| SiSbPt | ICSD | 413194 | Pbca (61) | ✔ | 24 | 152 | 3 | 0.2057 | 0.310 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li2Ca | ICSD | 413207 | Fd-3m (227) | ✔ | 6 | 32 | 1 | 0.0 | 0.001 | 0.744 | (0;000) | ✗ | 27/01/17 |
| SiO2 | ICSD | 413210 | Cc (9) | ✗ | 12 | 64 | 3 | 5.8723 | 5.872 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ga2PdBr8 | ICSD | 413229 | C2/m (12) | ✔ | 11 | 100 | 1 | 1.4851 | 1.485 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ga2PdI8 | ICSD | 413230 | C2/m (12) | ✔ | 11 | 100 | 1 | 1.1575 | 1.304 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Pt | ICSD | 413241 | P6_3/mmc (194) | ✔ | 6 | 56 | 2 | 1.2769 | 1.369 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiAlSi | ICSD | 413257 | F-43m (216) | ✗ | 3 | 10 | 3 | 0.0 | 1.721 | 0.008 | (0;000) | ✔ | 15/02/17 |
| CdHg2SO6 | ICSD | 413287 | P-1 (2) | ✔ | 20 | 156 | 3 | 1.5314 | 1.669 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdHg2SeO6 | ICSD | 413288 | P-1 (2) | ✔ | 20 | 156 | 3 | 1.2137 | 1.289 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuBiSCl2 | ICSD | 413289 | Cmcm (63) | ✔ | 10 | 92 | 2 | 0.319 | 0.337 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgBiSCl2 | ICSD | 413290 | Cmcm (63) | ✔ | 10 | 92 | 2 | 0.689 | 0.689 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ag2HgSI2 | ICSD | 413300 | Cmc2_1 (36) | ✗ | 12 | 108 | 3 | 1.0911 | 1.122 | 0.000 | (0;000) | ✗ | 16/03/17 |
| K2SnHgSe4 | ICSD | 413308 | I-42m (121) | ✗ | 8 | 68 | 1 | 1.5248 | 1.525 | 0.000 | (0;000) | ✗ | 29/03/17 |
| CuHgSI | ICSD | 413309 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 0.7199 | 0.720 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cd(C2N3)2 | ICSD | 413334 | Pnnm (58) | ✔ | 22 | 116 | 3 | 3.7244 | 3.887 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsCu3O2 | ICSD | 413342 | P-3m1 (164) | ✔ | 6 | 54 | 2 | 1.5592 | 1.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr(BeN)2 | ICSD | 413356 | I4/mcm (140) | ✔ | 10 | 56 | 1 | 1.993 | 2.104 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca(BeN)2 | ICSD | 413357 | I4/mcm (140) | ✔ | 10 | 56 | 1 | 2.5333 | 2.668 | 0.000 | (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 |
| SbN9 | ICSD | 413359 | R-3 (148) | ✔ | 20 | 100 | 1 | 2.7027 | 2.734 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca3SiO | ICSD | 413382 | Imma (74) | ✔ | 10 | 80 | 1 | 0.0436 | 0.044 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca3GeO | ICSD | 413383 | Imma (74) | ✔ | 10 | 80 | 1 | 0.0 | 0.015 | 0.010 | (0;000) | ✗ | 02/02/17 |
| Sr3SiO | ICSD | 413384 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.2124 | 0.212 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr3GeO | ICSD | 413385 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.1546 | 0.155 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BAsO4 | ICSD | 413436 | P3_121 (152) | ✗ | 18 | 96 | 3 | 4.7353 | 4.824 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BPO4 | ICSD | 413437 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.731 | 7.958 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BAsO4 | ICSD | 413438 | I-4 (82) | ✗ | 6 | 32 | 3 | 5.1922 | 5.671 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaCl3 | ICSD | 413455 | C2/m (12) | ✔ | 8 | 68 | 1 | 4.2652 | 4.266 | 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 |
| GaI3 | ICSD | 413457 | P2_1/c (14) | ✔ | 16 | 136 | 1 | 1.9315 | 1.958 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YIn2Ni | ICSD | 413459 | Cmcm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.860 | (0;000) | ✗ | 27/01/17 |
| BaSb2 | ICSD | 413519 | P2_1/m (11) | ✔ | 18 | 120 | 1 | 0.0 | 0.040 | 0.156 | (0;010) | ✗ | 02/02/17 |
| Ga2Ir | ICSD | 413557 | Cmcm (63) | ✔ | 18 | 258 | 3 | 0.0 | 0.000 | 0.968 | (1;000) | ✗ | 02/02/17 |
| GaHgCl4 | ICSD | 413579 | P-1 (2) | ✔ | 12 | 106 | 2 | 3.0339 | 3.159 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MoBr3 | ICSD | 413690 | C2mm (38) | ✗ | 8 | 70 | 1 | 0.0 | 0.001 | 0.433 | (0;011) | ✔ | 04/10/16 |
| Mg3Rh | ICSD | 413720 | P6_3cm (185) | ✗ | 24 | 282 | 3 | 0.0 | 0.000 | 0.706 | ? | ✗ | 04/08/17 |
| LaGe | ICSD | 413736 | Ccmm (63) | ✔ | 8 | 28 | 3 | 0.0 | 0.028 | 0.459 | (0;000) | ✗ | 06/10/16 |
| CS2NF5 | ICSD | 413754 | P-1 (2) | ✔ | 18 | 112 | 1 | 3.4262 | 3.430 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca2In | ICSD | 413803 | Pnma (62) | ✔ | 12 | 132 | 1 | 0.0 | 0.001 | 0.486 | (0;011) | ✗ | 02/02/17 |
| BaNaBi | ICSD | 413810 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.0066 | 0.007 | 0.000 | (1;000) | ✔ | 06/10/16 |
| In2PO5 | ICSD | 413858 | P-1 (2) | ✔ | 16 | 122 | 3 | 2.4935 | 2.711 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiScF4 | ICSD | 413966 | I4_1/a (88) | ✔ | 12 | 84 | 3 | 6.3135 | 6.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CuAsF7 | ICSD | 413972 | Imma (74) | ✔ | 18 | 130 | 3 | 0.0 | 0.003 | 0.094 | (1;110) | ✗ | 30/01/17 |
| RbAu(SeO4)2 | ICSD | 413989 | C2/m (12) | ✔ | 12 | 80 | 2 | 1.5782 | 1.584 | 0.000 | (0;000) | ✗ | 05/01/17 |
| RuCl3 | ICSD | 414041 | Cmcm (63) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.794 | (0;110) | ✔ | 02/02/17 |
| MgIr2 | ICSD | 414084 | P6_3/mmc (194) | ✔ | 12 | 176 | 3 | 0.0 | 0.011 | 0.664 | (1;000) | ✗ | 27/01/17 |
| Rb2CO3 | ICSD | 414122 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.1677 | 3.168 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaAs2 | ICSD | 414139 | Pc (7) | ✗ | 18 | 120 | 1 | 0.3452 | 0.346 | 0.000 | (0;000) | ✔ | 24/04/17 |
| Ba2Ge(TeSe)2 | ICSD | 414165 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 0.8686 | 0.869 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2GeSe4 | ICSD | 414166 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 1.4911 | 1.491 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2LiVS4 | ICSD | 414185 | Fddd (70) | ✔ | 16 | 116 | 1 | 1.553 | 1.553 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Cs2LiVS4 | ICSD | 414186 | Fddd (70) | ✔ | 16 | 116 | 1 | 1.5915 | 1.592 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2LiNbS4 | ICSD | 414187 | P-1 (2) | ✔ | 16 | 116 | 1 | 2.4841 | 2.594 | 0.000 | (0;000) | ✗ | 02/02/17 |
| In5Se5Br | ICSD | 414218 | Pmn2_1 (31) | ✗ | 22 | 204 | 3 | 0.6795 | 0.833 | 0.000 | (0;000) | ✗ | 07/08/17 |
| In5S5Br | ICSD | 414219 | Pmn2_1 (31) | ✗ | 22 | 204 | 3 | 1.0705 | 1.216 | 0.000 | (0;000) | ✗ | 07/08/17 |
| In5Se5Cl | ICSD | 414220 | P2_1/m (11) | ✔ | 22 | 204 | 3 | 0.8819 | 0.937 | 0.000 | (0;000) | ✗ | 07/08/17 |
| In5S5Cl | ICSD | 414221 | P2_1/m (11) | ✔ | 22 | 204 | 3 | 1.2351 | 1.301 | 0.000 | (0;000) | ✗ | 07/08/17 |
| BaIn | ICSD | 414228 | Cmcm (63) | ✔ | 8 | 92 | 1 | 0.0 | 0.011 | 0.250 | (1;000) | ✗ | 02/02/17 |
| BaIn4 | ICSD | 414230 | I4/mmm (139) | ✔ | 5 | 62 | 3 | 0.0 | 0.003 | 0.201 | (1;000) | ✗ | 05/01/17 |
| CaIn | ICSD | 414231 | I4/mmm (139) | ✔ | 8 | 92 | 1 | 0.0 | 0.000 | 0.494 | (0;111) | ✗ | 02/02/17 |
| CaIn2 | ICSD | 414232 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.051 | 0.245 | (1;000) | ✗ | 27/01/17 |
| SrIn | ICSD | 414234 | Fdd2 (43) | ✗ | 16 | 184 | 1 | 0.0 | 0.007 | 0.314 | ? | ✗ | 07/08/17 |
| SrIn2 | ICSD | 414235 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.058 | 0.204 | (0;000) | ✗ | 27/01/17 |
| LiI | ICSD | 414242 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 4.1367 | 4.137 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlBiBr6 | ICSD | 414262 | P-1 (2) | ✔ | 16 | 120 | 2 | 1.9787 | 1.979 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Rb2TaCuS4 | ICSD | 414271 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.3711 | 2.508 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2TaCuSe4 | ICSD | 414272 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.9732 | 2.128 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Al9Ir2 | ICSD | 414302 | P2_1/c (14) | ✔ | 22 | 122 | 3 | 0.0 | 0.000 | 0.849 | (0;010) | ✗ | 04/08/17 |
| Al9Rh2 | ICSD | 414304 | P2_1/c (14) | ✔ | 22 | 122 | 3 | 0.0 | 0.000 | 0.858 | (0;010) | ✗ | 04/08/17 |
| NbCuTe2 | ICSD | 414338 | P2_1/m (11) | ✔ | 8 | 72 | 3 | 0.0 | 0.044 | 0.253 | (1;000) | ✗ | 27/01/17 |
| BaIn2Ir | ICSD | 414434 | Cmcm (63) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.789 | (0;000) | ✗ | 02/02/17 |
| Sr2CaTeO6 | ICSD | 414435 | P2_1/c (14) | ✔ | 20 | 144 | 1 | 3.6612 | 3.716 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KH8N3 | ICSD | 414496 | C222_1 (20) | ✗ | 24 | 64 | 1 | 2.6336 | 2.696 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sc5(In2Ni)2 | ICSD | 414505 | Pbam (55) | ✔ | 22 | 254 | 3 | 0.0 | 0.000 | 0.985 | (0;000) | ✗ | 08/08/17 |
| Sc5(In2Rh)2 | ICSD | 414506 | Pbam (55) | ✔ | 22 | 282 | 3 | 0.0 | 0.000 | 0.994 | (0;000) | ✗ | 08/08/17 |
| Sr2LiGe3 | ICSD | 414574 | Fmmm (69) | ✔ | 12 | 70 | 1 | 0.0 | 0.008 | 0.514 | (0;110) | ✗ | 02/02/17 |
| Sr2LiGe3 | ICSD | 414575 | Pnnm (58) | ✔ | 24 | 140 | 1 | 0.0 | 0.008 | 0.920 | (1;000) | ✗ | 04/08/17 |
| RbH2OF | ICSD | 415010 | Pnma (62) | ✔ | 20 | 96 | 1 | 5.4701 | 5.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba8Sb4H2O | ICSD | 415034 | I4/mmm (139) | ✔ | 15 | 108 | 1 | 0.3874 | 0.387 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbBa4Sb3O | ICSD | 415036 | I4/mcm (140) | ✔ | 18 | 140 | 1 | 0.8848 | 0.993 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsCS(OF)3 | ICSD | 415056 | P2_1 (4) | ✗ | 18 | 116 | 1 | 5.319 | 5.319 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Li2TeS3 | ICSD | 415120 | P2_1/c (14) | ✔ | 24 | 120 | 1 | 1.1876 | 1.204 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li2TeSe3 | ICSD | 415121 | P2_1/c (14) | ✔ | 24 | 120 | 3 | 0.7397 | 0.750 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba2H3Br | ICSD | 415127 | P-3m1 (164) | ✔ | 6 | 30 | 1 | 2.0033 | 2.374 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Sc3IrC4 | ICSD | 415137 | Immm (71) | ✔ | 8 | 66 | 3 | 0.0 | 0.024 | 0.504 | (1;111) | ✗ | 27/01/17 |
| MnBiSe2I | ICSD | 415138 | C2/m (12) | ✔ | 10 | 98 | 3 | 0.0 | 0.006 | 0.308 | (1;001) | ✗ | 02/02/17 |
| NbTlBr4O | ICSD | 415203 | C2 (5) | ✗ | 7 | 60 | 1 | 1.1356 | 1.469 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cs2GeSe3 | ICSD | 415215 | C2/m (12) | ✔ | 12 | 80 | 1 | 1.7854 | 1.887 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P2Pd2O7 | ICSD | 415239 | C2/c (15) | ✔ | 22 | 176 | 3 | 0.9739 | 1.000 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Na2PSe3 | ICSD | 415240 | Cmce (64) | ✔ | 24 | 164 | 1 | 1.9493 | 2.108 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mg(CoGe)6 | ICSD | 415256 | P6/mmm (191) | ✔ | 13 | 136 | 3 | 0.0 | 0.002 | 0.526 | (1;000) | ✗ | 27/01/17 |