▴ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaFe2S3 | COD | 1527523 | Cmcm (63) | ✔ | 12 | 88 | 1 | 0.0 | 0.025 | 0.346 | (0;110) | ✗ | 02/02/17 |
BaFe2Se3 | COD | 1504314 | Pnma (62) | ✔ | 24 | 176 | 1 | 0.0 | 0.003 | 0.354 | (1;000) | ✗ | 04/08/17 |
BaFe2Se3 | ICSD | 290596 | Cmcm (63) | ✔ | 12 | 88 | 1 | 0.0 | 0.001 | 0.469 | (1;000) | ✗ | 02/02/17 |
BaFe4O7 | ICSD | 2530 | P6_3/m (176) | ✔ | 24 | 168 | 3 | 0.0 | 0.002 | 0.763 | (0;000) | ✗ | 04/08/17 |
Ba(FeAs)2 | COD | 4123005 | I4/mmm (139) | ✔ | 5 | 36 | 2 | 0.0 | 0.015 | 0.486 | (1;111) | ✗ | 05/01/17 |
BaFeCuF7 | COD | 1000216 | Cc (9) | ✗ | 20 | 156 | 3 | 0.0 | 0.009 | 0.016 | (0;000) | ✔ | 21/03/17 |
BaFeF4 | ICSD | 82765 | Ccm2_1 (36) | ✗ | 12 | 92 | 2 | 0.0565 | 0.274 | 0.000 | (0;000) | ✔ | 06/10/16 |
BaFeF4 | ICSD | 65252 | Ccm2_1 (36) | ✗ | 12 | 92 | 2 | 0.0333 | 0.270 | 0.000 | (0;000) | ✔ | 06/10/16 |
BaFeO3 | ICSD | 262131 | Pm-3m (221) | ✔ | 5 | 36 | 3 | 0.0 | 0.000 | 0.821 | (1;000) | ✗ | 05/01/17 |
BaFeO3 | ICSD | 28917 | Pm-3m (221) | ✔ | 5 | 36 | 3 | 0.0 | 0.000 | 0.819 | (1;000) | ✗ | 06/10/16 |
Ba(FeP)2 | COD | 7221161 | I4/mmm (139) | ✔ | 5 | 36 | 2 | 0.0 | 0.005 | 0.524 | (1;111) | ✗ | 05/01/17 |
Ba(FeS2)2 | ICSD | 23081 | I4/m (87) | ✔ | 7 | 50 | 1 | 0.0 | 0.002 | 0.245 | (0;111) | ✗ | 05/01/17 |
Ba(FeSb3)4 | ICSD | 658735 | Im3 (204) | ✔ | 17 | 102 | 3 | 0.0 | 0.012 | 0.521 | (0;000) | ✗ | 02/02/17 |
BaGa2 | ICSD | 58649 | P6/mmm (191) | ✔ | 3 | 36 | 2 | 0.0 | 0.013 | 0.482 | (1;000) | ✗ | 05/01/17 |
BaGa4 | ICSD | 615865 | I4/mmm (139) | ✔ | 5 | 62 | 3 | 0.0 | 0.016 | 0.239 | (1;000) | ✗ | 05/01/17 |
BaGa4S7 | COD | 1518018 | Pmn2_1 (31) | ✗ | 24 | 208 | 3 | 2.4589 | 2.461 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaGa4Se7 | COD | 4316718 | Pc (7) | ✗ | 24 | 208 | 3 | 1.5971 | 1.597 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba(GaAs)2 | COD | 4316405 | P2_1/c (14) | ✔ | 20 | 184 | 1 | 1.3257 | 1.368 | 0.000 | (0;000) | ✗ | 30/01/17 |
BaGaBO3F2 | ICSD | 91315 | P6_3/m (176) | ✔ | 16 | 116 | 2 | 5.2302 | 5.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaGaGe | ICSD | 615870 | P6_3/mmc (194) | ✔ | 12 | 108 | 1 | 0.0 | 0.006 | 0.891 | (0;000) | ✗ | 02/02/17 |
BaGaH5 | ICSD | 240693 | P2_1 (4) | ✗ | 14 | 56 | 1 | 3.2526 | 3.526 | 0.000 | (0;000) | ✗ | 15/02/17 |
Ba(GaP)2 | COD | 4316404 | P2_1/c (14) | ✔ | 20 | 184 | 1 | 1.428 | 1.428 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(GaPt)2 | ICSD | 50160 | P2_1/c (14) | ✔ | 20 | 224 | 3 | 0.0 | 0.082 | 0.520 | (1;001) | ✗ | 02/02/17 |
Ba(GaSe2)2 | ICSD | 24386 | Cccm (66) | ✔ | 14 | 120 | 1 | 1.6402 | 1.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaGe | ICSD | 659524 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.013 | 0.141 | (0;110) | ✗ | 05/01/17 |
BaGe | ICSD | 52688 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.011 | 0.146 | (0;110) | ✗ | 06/10/16 |
BaGe2 | ICSD | 409260 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.4882 | 0.617 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaGe2 | COD | 7221343 | I4_1/amd (141) | ✔ | 6 | 36 | 3 | 0.0 | 0.005 | 0.182 | (1;111) | ✗ | 05/01/17 |
BaGe3 | ICSD | 261651 | P6_3/mmc (194) | ✔ | 8 | 44 | 1 | 0.0 | 0.001 | 0.862 | (0;000) | ✗ | 02/02/17 |
BaGe3Pd | ICSD | 174261 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.018 | 0.403 | (1;111) | ✔ | 07/10/16 |
BaGe3Pt | ICSD | 174262 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.014 | 0.403 | (1;011) | ✔ | 07/10/16 |
Ba(Ge3Pt)4 | ICSD | 174551 | Im3 (204) | ✔ | 17 | 98 | 3 | 0.0 | 0.028 | 0.522 | (1;000) | ✗ | 02/02/17 |
BaGe5 | COD | 4341884 | Imma (74) | ✔ | 12 | 60 | 1 | 0.0 | 0.013 | 0.886 | (0;111) | ✗ | 02/02/17 |
BaGe6 | COD | 4341768 | Cmcm (63) | ✔ | 14 | 68 | 3 | 0.0 | 0.005 | 0.938 | (0;110) | ✗ | 02/02/17 |
Ba(GeAs)2 | COD | 2101579 | P4_2mc (105) | ✗ | 20 | 112 | 3 | 0.034 | 0.116 | 0.000 | (0;000) | ✔ | 26/04/17 |
BaGeF6 | COD | 1010206 | R-3m (166) | ✔ | 8 | 56 | 1 | 6.4215 | 6.422 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaGeO3 | ICSD | 23925 | P2_12_12_1 (19) | ✗ | 20 | 128 | 1 | 3.833 | 3.835 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaGe(PO4)2 | ICSD | 423040 | C2/m (12) | ✔ | 12 | 72 | 2 | 4.6127 | 4.708 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaGePt | ICSD | 106309 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.524 | (1;000) | ✔ | 28/11/16 |
Ba(GeRh)2 | ICSD | 77146 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.009 | 0.573 | (1;000) | ✗ | 05/01/17 |
Ba(GeRu)2 | ICSD | 77143 | Fddd (70) | ✔ | 10 | 100 | 3 | 0.0 | 0.023 | 0.187 | (1;111) | ✗ | 02/02/17 |
BaH2 | ICSD | 615909 | Pnma (62) | ✔ | 12 | 48 | 1 | 2.9001 | 3.374 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaH2 | ICSD | 615913 | Cmcm (63) | ✔ | 6 | 24 | 1 | 1.7224 | 2.854 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaH2C2O5 | ICSD | 151115 | C2/m (12) | ✔ | 20 | 100 | 1 | 3.1951 | 3.297 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaH4(BrO)2 | ICSD | 33949 | C2/c (15) | ✔ | 18 | 80 | 1 | 4.3322 | 4.332 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaH4(IO)2 | ICSD | 407360 | C2/c (15) | ✔ | 18 | 80 | 1 | 3.6524 | 3.669 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaH4O3 | ICSD | 63017 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 4.418 | 4.429 | 0.000 | (0;000) | ✗ | 15/02/17 |
BaHBr | COD | 9009158 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.4293 | 3.429 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaHCl | COD | 9009159 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.2871 | 3.287 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaHClO | ICSD | 74721 | Pnma (62) | ✔ | 16 | 96 | 1 | 5.0229 | 5.024 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaHf(PO4)2 | ICSD | 245690 | C2/m (12) | ✔ | 12 | 80 | 2 | 4.6342 | 4.701 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaHfS3 | ICSD | 615918 | Pnma (62) | ✔ | 20 | 160 | 3 | 1.2402 | 1.240 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaHg | ICSD | 58654 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.616 | (1;000) | ✗ | 05/01/17 |
BaHg2 | ICSD | 58655 | Imma (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.037 | 0.399 | (0;111) | ✗ | 05/01/17 |
BaHgO2 | COD | 2002491 | P6_322 (182) | ✗ | 24 | 204 | 1 | 2.1697 | 2.247 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaHgO2 | ICSD | 74076 | R-3m (166) | ✔ | 4 | 34 | 1 | 2.5459 | 2.704 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaHgS2 | COD | 4342638 | Pmc2_1 (26) | ✗ | 16 | 136 | 2 | 1.2035 | 1.237 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaHI | COD | 9009160 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.2911 | 2.291 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaI2 | ICSD | 36210 | P-62m (189) | ✗ | 9 | 72 | 1 | 2.639 | 2.639 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaI2 | COD | 1527184 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.9738 | 2.974 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaIF | COD | 9011175 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 3.635 | 3.635 | 0.000 | (0;000) | ✗ | 30/01/17 |
BaIn | ICSD | 414228 | Cmcm (63) | ✔ | 8 | 92 | 1 | 0.0 | 0.011 | 0.250 | (1;000) | ✗ | 02/02/17 |
BaIn2Ir | ICSD | 414434 | Cmcm (63) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.789 | (0;000) | ✗ | 02/02/17 |
BaIn2Pt | ICSD | 411228 | Cmcm (63) | ✔ | 8 | 92 | 3 | 0.0 | 0.036 | 0.481 | (1;000) | ✗ | 02/02/17 |
BaIn2Rh | ICSD | 411232 | Cmcm (63) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.869 | (0;110) | ✗ | 02/02/17 |
BaIn4 | ICSD | 414230 | I4/mmm (139) | ✔ | 5 | 62 | 3 | 0.0 | 0.003 | 0.201 | (1;000) | ✗ | 05/01/17 |
BaIn4Ir | COD | 4305632 | Pmma (51) | ✔ | 12 | 158 | 3 | 0.0 | 0.000 | 0.878 | (0;000) | ✗ | 02/02/17 |
Ba(InAu)2 | COD | 4308151 | Pnma (62) | ✔ | 20 | 232 | 3 | 0.0 | 0.006 | 0.938 | (0;000) | ✗ | 21/03/17 |
Ba(InP)2 | COD | 2017325 | P2_1/m (11) | ✔ | 20 | 184 | 1 | 0.3999 | 0.411 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(InTe2)2 | ICSD | 41168 | Cccm (66) | ✔ | 14 | 120 | 1 | 0.7434 | 1.163 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(IO3)2 | ICSD | 23276 | C2/c (15) | ✔ | 18 | 120 | 1 | 3.775 | 3.843 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaLi2(MgGe)2 | COD | 8101153 | R-3m (166) | ✔ | 7 | 44 | 1 | 0.0 | 0.117 | 0.220 | (0;000) | ✗ | 05/01/17 |
BaLi2Mg(PO4)2 | ICSD | 236294 | P-3 (147) | ✔ | 14 | 84 | 2 | 5.9892 | 6.088 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaLi2(MgSi)2 | COD | 8101152 | R-3m (166) | ✔ | 7 | 44 | 1 | 0.0 | 0.311 | 0.196 | (0;000) | ✗ | 05/01/17 |
BaLi2Si | COD | 7221325 | Pmmn (59) | ✔ | 8 | 40 | 1 | 0.0 | 0.011 | 0.141 | (0;000) | ✗ | 05/01/17 |
BaLiAs | ICSD | 56445 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.4512 | 0.451 | 0.000 | (0;000) | ✔ | 06/10/16 |
BaLiF3 | ICSD | 45310 | Pm-3m (221) | ✔ | 5 | 34 | 1 | 6.6401 | 6.640 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaLiGe2 | ICSD | 162583 | Pnma (62) | ✔ | 16 | 84 | 1 | 0.0 | 0.000 | 0.601 | (1;011) | ✗ | 02/02/17 |
BaLiH3 | ICSD | 416463 | Pm-3m (221) | ✔ | 5 | 16 | 1 | 2.2583 | 2.610 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaLiH3 | ICSD | 23977 | Pm-3m (221) | ✔ | 5 | 16 | 3 | 0.0 | 0.003 | 0.111 | (0;111) | ✗ | 05/01/17 |
BaLiP | ICSD | 56444 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.6342 | 0.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaLiP | ICSD | 416890 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.9216 | 0.963 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaLiSb | COD | 2200086 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.4311 | 0.643 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaMg2 | COD | 4311321 | P6_3/mmc (194) | ✔ | 12 | 120 | 1 | 0.0 | 0.001 | 0.718 | (0;000) | ✗ | 02/02/17 |
BaMg4Ge3 | COD | 4322260 | P4/mmm (123) | ✔ | 8 | 62 | 3 | 0.0 | 0.005 | 0.308 | (0;001) | ✗ | 05/01/17 |
BaMg4Si3 | COD | 4322259 | P4/mmm (123) | ✔ | 8 | 62 | 3 | 0.0 | 0.006 | 0.336 | (1;000) | ✗ | 05/01/17 |
Ba(MgAs)2 | ICSD | 30916 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.9654 | 1.350 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(MgBi)2 | COD | 7221204 | P-3m1 (164) | ✔ | 5 | 60 | 2 | 0.0 | 0.010 | 0.011 | (0;000) | ✗ | 05/01/17 |
BaMg(CO2)2 | ICSD | 193061 | C2/m (12) | ✔ | 8 | 52 | 1 | 1.5397 | 1.540 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaMg(CO3)2 | COD | 9011458 | R-3m (166) | ✔ | 10 | 64 | 2 | 4.0954 | 4.178 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaMg(CO3)2 | ICSD | 193059 | R-3m (166) | ✔ | 10 | 64 | 2 | 4.141 | 4.238 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaMgF4 | ICSD | 182598 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 7.6297 | 7.630 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaMgF4 | ICSD | 182596 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 6.6299 | 6.798 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaMgF4 | ICSD | 50227 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 7.1288 | 7.150 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaMgF4 | ICSD | 182597 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 7.4872 | 7.496 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaMgGe | COD | 9008328 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.0 | 0.001 | 0.176 | (1;001) | ✗ | 05/01/17 |
Ba(MgGe)2 | ICSD | 25312 | I4/mmm (139) | ✔ | 5 | 38 | 3 | 0.0 | 0.014 | 0.260 | (1;111) | ✗ | 05/01/17 |
Ba(MgP)2 | ICSD | 30914 | P-3m1 (164) | ✔ | 5 | 40 | 1 | 1.1281 | 1.727 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaMgPb | ICSD | 615958 | P4/nmm (129) | ✔ | 6 | 68 | 2 | 0.0 | 0.050 | 0.433 | (0;000) | ✗ | 05/01/17 |
Ba(MgPb)2 | ICSD | 25338 | P4/nmm (129) | ✔ | 10 | 116 | 3 | 0.0 | 0.023 | 0.350 | (0;001) | ✗ | 02/02/17 |