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| ▴ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| BePd2 | ICSD | 107609 | I4/mmm (139) | ✔ | 3 | 40 | 3 | 0.0 | 0.020 | 0.675 | (0;000) | ✗ | 05/01/17 |
| BePd3 | ICSD | 107610 | Cmcm (63) | ✔ | 8 | 116 | 3 | 0.0 | 0.005 | 0.685 | (1;000) | ✗ | 05/01/17 |
| 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 | 53934 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 0.0 | 2.642 | 0.027 | (0;000) | ✗ | 05/01/17 |
| BeSe | ICSD | 183374 | F-43m (216) | ✗ | 2 | 10 | 1 | 2.4499 | 4.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeSiAs2 | ICSD | 237067 | I-42d (122) | ✗ | 8 | 36 | 3 | 0.8099 | 0.810 | 0.000 | (0;000) | ✗ | 07/10/16 |
| BeSiN2 | ICSD | 25704 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 5.07 | 5.226 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BeSiN2 | ICSD | 44112 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.4111 | 1.932 | 0.000 | (0;000) | ✗ | 07/10/16 |
| BeSiP2 | ICSD | 237066 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.1465 | 1.147 | 0.000 | (0;000) | ✗ | 07/10/16 |
| BeSiSb2 | ICSD | 237068 | I-42d (122) | ✗ | 8 | 36 | 3 | 0.0 | 0.476 | 0.018 | (0;000) | ✔ | 07/10/16 |
| BeSO4 | ICSD | 44801 | I-4 (82) | ✗ | 6 | 34 | 3 | 6.347 | 6.584 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeSO4 | ICSD | 16832 | I-4 (82) | ✗ | 6 | 34 | 3 | 6.9194 | 7.081 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeSO8 | COD | 9014047 | I4/mcm (140) | ✔ | 20 | 116 | 1 | 0.0 | 0.002 | 0.475 | (1;000) | ✗ | 02/02/17 |
| BeTe | ICSD | 183375 | F-43m (216) | ✗ | 2 | 10 | 1 | 1.572 | 3.253 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BF2 | ICSD | 27867 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BF2 | COD | 1510681 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BH2C2NF4 | COD | 4300536 | P2_1 (4) | ✗ | 20 | 92 | 1 | 6.197 | 6.204 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BH2CO | ICSD | 9561 | C2/c (15) | ✔ | 20 | 60 | 1 | 1.1303 | 1.130 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BH2S3N3F4 | ICSD | 201705 | P1 (1) | ✗ | 13 | 66 | 1 | 2.3977 | 2.402 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BH3 | ICSD | 15598 | P2_1/c (14) | ✔ | 16 | 24 | 1 | 5.9279 | 5.928 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BH3NF4 | ICSD | 49614 | P-1 (2) | ✔ | 18 | 78 | 1 | 7.5408 | 7.573 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BH3OF4 | ICSD | 15591 | P-1 (2) | ✔ | 18 | 80 | 1 | 6.1272 | 6.158 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BH4C3O2 | COD | 2204051 | P-1 (2) | ✔ | 20 | 62 | 1 | 3.5427 | 3.639 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BH5NCl | ICSD | 248875 | Cmc2_1 (36) | ✗ | 16 | 40 | 1 | 6.0688 | 6.228 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BH6CN3F4 | ICSD | 202434 | R3m (160) | ✗ | 15 | 56 | 1 | 6.1298 | 6.130 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BH6N | ICSD | 237078 | Cmc2_1 (36) | ✗ | 16 | 28 | 1 | 5.397 | 5.563 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BH6N | COD | 4116439 | Pmn2_1 (31) | ✗ | 16 | 28 | 1 | 5.5448 | 5.545 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BH6N | ICSD | 181422 | Cmc2_1 (36) | ✗ | 16 | 28 | 1 | 6.5504 | 6.904 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BH8N | ICSD | 247614 | Pma2 (28) | ✗ | 20 | 32 | 1 | 4.1825 | 4.883 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Bi | COD | 9012006 | P6_3/mmc (194) | ✔ | 2 | 30 | 1 | 0.0 | 0.000 | 0.565 | (1;000) | ✗ | 05/01/17 |
| Bi | ICSD | 42679 | P2_1/m (11) | ✔ | 4 | 60 | 3 | 0.0 | 0.015 | 0.308 | (1;111) | ✗ | 05/01/17 |
| Bi | ICSD | 51674 | I4/mcm (140) | ✔ | 4 | 60 | 3 | 0.0 | 0.037 | 0.408 | (1;100) | ✗ | 05/01/17 |
| Bi | COD | 9012437 | P6_3/mmc (194) | ✔ | 2 | 30 | 1 | 0.0 | 0.000 | 0.839 | (1;000) | ✗ | 02/02/17 |
| Bi | COD | 8100521 | C2/m (12) | ✔ | 2 | 30 | 3 | 0.0 | 0.042 | 0.657 | (0;001) | ✗ | 05/01/17 |
| Bi | ICSD | 187502 | Cmce (64) | ✔ | 8 | 120 | 3 | 0.0 | 0.028 | 0.332 | (0;000) | ✗ | 02/02/17 |
| Bi10Mo3 | COD | 2104405 | C2/m (12) | ✔ | 13 | 192 | 1 | 0.0 | 0.007 | 0.526 | (1;000) | ✗ | 21/03/17 |
| Bi14Mo5 | COD | 2104407 | C2/m (12) | ✔ | 19 | 280 | 1 | 0.0 | 0.005 | 0.650 | (0;001) | ✗ | 21/03/17 |
| Bi2CO5 | ICSD | 94740 | Imm2 (44) | ✗ | 8 | 44 | 2 | 0.0 | 0.002 | 0.256 | (0;111) | ✔ | 06/10/16 |
| Bi2Ir | ICSD | 616739 | P2_1/c (14) | ✔ | 12 | 188 | 3 | 0.0 | 0.154 | 0.167 | (0;000) | ✗ | 02/02/17 |
| Bi2Ir | ICSD | 424397 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.0 | 0.208 | 0.075 | (0;000) | ✗ | 06/10/16 |
| Bi2MoO6 | ICSD | 37251 | Cmce (64) | ✔ | 18 | 160 | 3 | 0.3995 | 0.401 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Bi2O3 | COD | 4332559 | Pccn (56) | ✔ | 20 | 192 | 3 | 2.313 | 2.314 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Bi2O3 | COD | 9012328 | P-4b2 (117) | ✗ | 20 | 192 | 3 | 0.0 | 0.000 | 0.728 | ? | ✗ | 21/03/17 |
| Bi2O3 | COD | 1010311 | Pn-3m (224) | ✔ | 10 | 96 | 3 | 0.0 | 0.003 | 0.667 | (1;000) | ✗ | 05/01/17 |
| Bi2O3 | COD | 1010004 | P2_1/c (14) | ✔ | 20 | 192 | 3 | 0.0 | 0.077 | 0.116 | (1;000) | ✗ | 02/02/17 |
| Bi2O3 | COD | 9012546 | P2_1/c (14) | ✔ | 20 | 192 | 3 | 2.2166 | 2.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Bi2O3 | ICSD | 261777 | Pccn (56) | ✔ | 20 | 112 | 3 | 2.3002 | 2.300 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2O3 | ICSD | 186365 | P-3m1 (164) | ✔ | 5 | 48 | 3 | 0.4261 | 1.051 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Bi2O3 | ICSD | 172529 | Pbnb (56) | ✔ | 20 | 112 | 3 | 2.2888 | 2.289 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2O3 | ICSD | 168815 | Pnab (60) | ✔ | 20 | 112 | 3 | 1.6331 | 1.633 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2O3 | ICSD | 168811 | Fd-3m (227) | ✔ | 20 | 112 | 1 | 2.1934 | 2.260 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2O3 | ICSD | 168807 | P4_2/mcm (132) | ✔ | 10 | 56 | 3 | 0.0 | 0.019 | 0.097 | (1;000) | ✗ | 06/10/16 |
| Bi2O3 | ICSD | 15072 | P2_1/c (14) | ✔ | 20 | 112 | 3 | 2.2283 | 2.259 | 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 |
| Bi2O3 | ICSD | 169685 | P31c (159) | ✗ | 20 | 112 | 3 | 1.2724 | 1.273 | 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 | 168810 | R3m (160) | ✗ | 10 | 56 | 2 | 2.2643 | 2.309 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2O3 | ICSD | 168808 | P-4m2 (115) | ✗ | 5 | 28 | 3 | 0.0567 | 0.494 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Bi2Pb2Se5 | ICSD | 30372 | P-3m1 (164) | ✔ | 9 | 88 | 3 | 0.0977 | 0.215 | 0.000 | (1;000) | ✗ | 02/02/17 |
| Bi2(PbS2)3 | COD | 9009250 | Cmcm (63) | ✔ | 22 | 216 | 3 | 0.0 | 0.110 | 0.151 | (0;000) | ✗ | 07/08/17 |
| Bi2(PbS2)3 | ICSD | 92981 | C2/m (12) | ✔ | 22 | 216 | 3 | 0.0 | 0.076 | 0.066 | (1;110) | ✗ | 07/08/17 |
| Bi2Pd | COD | 9012857 | I4/mmm (139) | ✔ | 3 | 48 | 2 | 0.0 | 0.384 | 0.383 | (1;000) | ✗ | 05/01/17 |
| Bi2Pd | COD | 9012855 | C2/m (12) | ✔ | 6 | 96 | 3 | 0.0 | 0.125 | 0.692 | (1;000) | ✗ | 05/01/17 |
| Bi2Pd | ICSD | 56280 | I4/mmm (139) | ✔ | 3 | 20 | 2 | 0.0 | 0.386 | 0.383 | (1;000) | ✗ | 06/10/16 |
| Bi2Pd | ICSD | 42565 | C2/m (12) | ✔ | 6 | 80 | 3 | 0.0 | 0.126 | 0.692 | (1;000) | ✔ | 06/10/16 |
| Bi2Pd3S2 | ICSD | 417634 | I2_13 (199) | ✗ | 14 | 192 | 3 | 0.0 | 0.000 | 0.820 | ? | ✗ | 21/03/17 |
| Bi2Pd3S2 | ICSD | 616954 | C2/m (12) | ✔ | 14 | 192 | 3 | 0.0 | 0.056 | 0.857 | (1;111) | ✗ | 02/02/17 |
| Bi2Pd3Se2 | ICSD | 261457 | C2/m (12) | ✔ | 14 | 192 | 3 | 0.0 | 0.096 | 0.791 | (0;110) | ✗ | 02/02/17 |
| Bi2Pd5 | ICSD | 58840 | C2/m (12) | ✔ | 14 | 120 | 3 | 0.0 | 0.026 | 0.782 | (1;000) | ✗ | 06/10/16 |
| Bi2PdO4 | COD | 2002219 | I4cm (108) | ✗ | 14 | 144 | 3 | 0.0 | 0.002 | 0.167 | (0;000) | ✔ | 13/04/17 |
| Bi2Pt | COD | 9012882 | Pa3 (205) | ✔ | 12 | 160 | 3 | 0.0 | 0.009 | 0.123 | (0;000) | ✗ | 02/02/17 |
| Bi2Pt | ICSD | 58847 | P-3 (147) | ✔ | 9 | 120 | 2 | 0.0 | 0.131 | 0.351 | (0;001) | ✗ | 02/02/17 |
| Bi2Pt | ICSD | 58846 | Pbca (61) | ✔ | 24 | 160 | 3 | 0.0 | 0.018 | 0.258 | (1;000) | ✗ | 06/10/16 |
| Bi2Pt | ICSD | 42567 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0 | 0.008 | 0.123 | (0;000) | ✗ | 06/10/16 |
| Bi2Pt | ICSD | 428088 | P31m (157) | ✗ | 9 | 60 | 3 | 0.0 | 0.005 | 0.393 | (0;000) | ✔ | 06/10/16 |
| Bi2Rh | ICSD | 43503 | P2_1/c (14) | ✔ | 12 | 188 | 3 | 0.0 | 0.014 | 0.221 | (0;101) | ✗ | 02/02/17 |
| Bi2Rh | COD | 2101560 | P-1 (2) | ✔ | 12 | 188 | 3 | 0.0 | 0.214 | 0.033 | (0;001) | ✗ | 02/02/17 |
| Bi2Rh3S2 | ICSD | 420725 | C2/m (12) | ✔ | 14 | 186 | 3 | 0.0 | 0.021 | 0.395 | (0;001) | ✗ | 02/02/17 |
| Bi2S3 | COD | 9007404 | Pnma (62) | ✔ | 20 | 192 | 3 | 0.6092 | 0.630 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Bi2S3 | ICSD | 201066 | Pmcn (62) | ✔ | 20 | 112 | 2 | 0.9742 | 1.010 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2S3 | ICSD | 153946 | Pmnb (62) | ✔ | 20 | 112 | 2 | 0.9478 | 0.980 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2Se3 | COD | 9013424 | Pnma (62) | ✔ | 20 | 192 | 2 | 0.5823 | 0.586 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Bi2Se3 | COD | 9011965 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.2711 | 0.347 | 0.000 | (1;000) | ✗ | 05/01/17 |
| Bi2Se3 | ICSD | 60205 | Pmcn (62) | ✔ | 20 | 112 | 2 | 0.5886 | 0.597 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2Se3 | ICSD | 171571 | Pmnb (62) | ✔ | 20 | 112 | 2 | 0.5886 | 0.597 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi2Se3 | ICSD | 165226 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.2932 | 0.375 | 0.000 | (1;000) | ✗ | 06/10/16 |
| Bi2SeO2 | ICSD | 411143 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.2634 | 1.044 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Bi2SO2 | ICSD | 29451 | Pnnm (58) | ✔ | 10 | 96 | 3 | 0.5844 | 0.953 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Bi2Te2S | COD | 9008043 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.2724 | 0.346 | 0.000 | (1;000) | ✗ | 05/01/17 |
| Bi2Te2Se | ICSD | 43512 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.2809 | 0.290 | 0.000 | (1;000) | ✗ | 05/01/17 |
| Bi2Te3 | COD | 9011962 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.1253 | 0.128 | 0.000 | (1;000) | ✗ | 05/01/17 |
| Bi2Te3 | ICSD | 15753 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.0867 | 0.094 | 0.000 | (1;000) | ✗ | 06/10/16 |
| Bi2Te3 | ICSD | 20289 | R3m (160) | ✗ | 5 | 28 | 3 | 0.0 | 0.026 | 0.183 | (1;111) | ✔ | 06/10/16 |
| Bi2Te4Pb | ICSD | 616936 | R-3m (166) | ✔ | 7 | 68 | 3 | 0.0449 | 0.134 | 0.000 | (1;111) | ✗ | 02/02/17 |
| Bi2Te5Pb2 | ICSD | 42708 | P-3m1 (164) | ✔ | 9 | 88 | 3 | 0.0 | 0.002 | 0.115 | (1;000) | ✗ | 02/02/17 |
| Bi2TeI | ICSD | 153858 | R-3m (166) | ✔ | 8 | 86 | 1 | 0.0 | 0.126 | 0.008 | (0;111) | ✗ | 21/03/17 |
| Bi2TeO6 | ICSD | 6239 | Cmce (64) | ✔ | 18 | 144 | 3 | 1.7449 | 1.745 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Bi2TeSe2 | COD | 9004849 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.1758 | 0.318 | 0.000 | (1;000) | ✗ | 05/01/17 |
| Bi2WO6 | COD | 1528731 | C2/m (12) | ✔ | 18 | 188 | 3 | 1.9362 | 2.313 | 0.000 | (0;000) | ✗ | 11/04/17 |