▴ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba(MgSb)2 | COD | 7221202 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.6084 | 1.317 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaMgSi | COD | 9008329 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.0 | 0.008 | 0.169 | (1;001) | ✗ | 05/01/17 |
Ba(MgSi)2 | ICSD | 25311 | I4/mmm (139) | ✔ | 5 | 38 | 3 | 0.0 | 0.011 | 0.286 | (0;000) | ✗ | 05/01/17 |
BaMgSn | ICSD | 615965 | P4/nmm (129) | ✔ | 6 | 68 | 2 | 0.0 | 0.017 | 0.529 | (0;000) | ✗ | 05/01/17 |
Ba(MgSn)2 | ICSD | 41915 | P4/nmm (129) | ✔ | 20 | 232 | 3 | 0.0 | 0.004 | 0.429 | (0;001) | ✗ | 21/03/17 |
BaMn2O3 | COD | 2002227 | Immm (71) | ✔ | 6 | 58 | 3 | 0.0 | 0.018 | 0.450 | (0;000) | ✗ | 05/01/17 |
BaMn2O8 | ICSD | 23443 | Fddd (70) | ✔ | 22 | 176 | 1 | 1.535 | 1.603 | 0.000 | (0;000) | ✗ | 08/08/17 |
Ba(MnAs)2 | ICSD | 41794 | I4/mmm (139) | ✔ | 5 | 50 | 2 | 0.0 | 0.009 | 0.867 | (0;111) | ✗ | 05/01/17 |
BaMnAsF | ICSD | 248365 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.857 | (0;000) | ✗ | 05/01/17 |
BaMnBi2 | ICSD | 615787 | I4/mmm (139) | ✔ | 8 | 110 | 2 | 0.0 | 0.001 | 0.777 | (1;000) | ✗ | 21/03/17 |
BaMnBiF | ICSD | 426033 | P4/nmm (129) | ✔ | 8 | 94 | 1 | 0.0 | 0.000 | 0.869 | (0;000) | ✗ | 02/02/17 |
BaMnCO3F2 | COD | 1100121 | P6_3/m (176) | ✔ | 16 | 122 | 2 | 0.0 | 0.000 | 0.877 | (0;000) | ✗ | 02/02/17 |
BaMnF4 | ICSD | 108841 | Cmc2_1 (36) | ✗ | 12 | 106 | 2 | 0.0 | 0.000 | 0.949 | (1;101) | ✔ | 28/11/16 |
BaMnF4 | ICSD | 182602 | Ccm2_1 (36) | ✗ | 12 | 106 | 2 | 0.0 | 0.000 | 0.800 | ? | ✗ | 06/10/16 |
BaMnF4 | ICSD | 26066 | Ccm2_1 (36) | ✗ | 12 | 106 | 2 | 0.0 | 0.000 | 0.946 | ? | ✗ | 06/10/16 |
BaMnF4 | ICSD | 261188 | Ccm2_1 (36) | ✗ | 12 | 106 | 2 | 0.0 | 0.000 | 0.946 | ? | ✗ | 06/10/16 |
BaMnF4 | ICSD | 182603 | Cmc2_1 (36) | ✗ | 12 | 106 | 3 | 0.0 | 0.000 | 0.897 | (1;001) | ✔ | 28/11/16 |
BaMnF4 | ICSD | 182601 | Ccm2_1 (36) | ✗ | 12 | 106 | 2 | 0.0 | 0.000 | 0.920 | ? | ✗ | 06/10/16 |
BaMnGe | ICSD | 615891 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.816 | (0;000) | ✗ | 05/01/17 |
BaMnGe | COD | 9008362 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.812 | (0;001) | ✗ | 05/01/17 |
Ba(MnGe)2 | ICSD | 404 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.0 | 0.001 | 0.733 | (0;000) | ✗ | 05/01/17 |
BaMnO3 | ICSD | 89995 | Cmc2_1 (36) | ✗ | 10 | 86 | 1 | 0.0 | 0.000 | 0.358 | ? | ✗ | 06/10/16 |
BaMnO3 | ICSD | 89996 | Ccm2_1 (36) | ✗ | 10 | 86 | 1 | 0.0 | 0.000 | 0.355 | (1;100) | ✔ | 05/12/16 |
BaMnO3 | ICSD | 24130 | P6_3/mmc (194) | ✔ | 20 | 172 | 3 | 0.0 | 0.002 | 0.513 | (0;000) | ✗ | 21/03/17 |
BaMnO3 | ICSD | 23873 | Ccmm (63) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 06/10/16 |
BaMnO3 | COD | 1524992 | P6_3/mmc (194) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.345 | (0;000) | ✗ | 05/01/17 |
BaMnO3 | ICSD | 24129 | Ccmm (63) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 06/10/16 |
BaMnO3 | ICSD | 23874 | P6_3/mmc (194) | ✔ | 20 | 172 | 3 | 0.0 | 0.010 | 0.301 | (0;000) | ✗ | 02/02/17 |
BaMnO4 | COD | 5910329 | Pnma (62) | ✔ | 24 | 196 | 1 | 0.0 | 0.000 | 0.451 | (1;011) | ✗ | 04/08/17 |
Ba(MnP)2 | COD | 7221162 | I4/mmm (139) | ✔ | 5 | 50 | 2 | 0.0 | 0.007 | 0.827 | (0;111) | ✗ | 05/01/17 |
BaMnPF | COD | 7203816 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.850 | (0;001) | ✗ | 05/01/17 |
BaMnS2 | ICSD | 615969 | Pnma (62) | ✔ | 16 | 148 | 2 | 0.0 | 0.000 | 0.707 | (1;011) | ✗ | 02/02/17 |
BaMnSb2 | COD | 7221197 | I4/mmm (139) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.856 | (0;000) | ✗ | 02/02/17 |
Ba(MnSb)2 | ICSD | 32019 | I4/mmm (139) | ✔ | 5 | 50 | 2 | 0.0 | 0.002 | 0.868 | (0;111) | ✗ | 05/01/17 |
BaMnSbF | ICSD | 248366 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.872 | (0;000) | ✗ | 05/01/17 |
Ba(MnSn)2 | ICSD | 58661 | I4/mmm (139) | ✔ | 5 | 68 | 3 | 0.0 | 0.003 | 0.733 | (0;000) | ✗ | 05/01/17 |
Ba(Mo3S4)2 | COD | 9007736 | R-3 (148) | ✔ | 15 | 142 | 3 | 0.0 | 0.036 | 0.438 | (1;000) | ✗ | 02/02/17 |
BaMoO2 | COD | 5910093 | I4_1/a (88) | ✔ | 16 | 144 | 3 | 0.0 | 0.021 | 0.336 | (1;111) | ✗ | 21/03/17 |
BaMoO3 | ICSD | 43799 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.771 | (0;000) | ✗ | 05/01/17 |
BaMoO4 | COD | 2300459 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 4.5904 | 4.590 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaMo(PO4)2 | COD | 1001653 | C2/m (12) | ✔ | 12 | 82 | 2 | 0.0 | 0.057 | 0.693 | (0;000) | ✗ | 05/01/17 |
Ba(MoSe)3 | ICSD | 615982 | P6_3/m (176) | ✔ | 14 | 140 | 3 | 0.0 | 0.001 | 0.671 | (0;000) | ✗ | 02/02/17 |
Ba(MoSe)3 | ICSD | 603615 | P6_3/m (176) | ✔ | 14 | 140 | 1 | 0.0 | 0.001 | 0.675 | (0;000) | ✗ | 02/02/17 |
BaN2 | ICSD | 280681 | C2/c (15) | ✔ | 6 | 40 | 1 | 0.0 | 0.007 | 0.652 | (0;000) | ✔ | 06/10/16 |
BaN2 | COD | 4327589 | C2/c (15) | ✔ | 6 | 40 | 1 | 0.0 | 0.022 | 0.618 | (0;000) | ✗ | 05/01/17 |
BaN3Cl | ICSD | 418423 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 4.1365 | 4.321 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaN6 | COD | 8103674 | P2_1/m (11) | ✔ | 14 | 80 | 1 | 3.9887 | 3.989 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaNa2 | COD | 7221378 | P6_3/mmc (194) | ✔ | 12 | 112 | 1 | 0.0 | 0.002 | 0.455 | (1;000) | ✗ | 02/02/17 |
BaNa2Mg(PO4)2 | ICSD | 424073 | P-3m1 (164) | ✔ | 14 | 96 | 2 | 5.1468 | 5.169 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaNaBi | ICSD | 413810 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.0066 | 0.007 | 0.000 | (1;000) | ✔ | 06/10/16 |
BaNaBO3 | COD | 2003991 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.8607 | 3.861 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaNaH3Pd | COD | 6000621 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 1.5304 | 1.872 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaNaP | ICSD | 402227 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.8483 | 0.848 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaNb2O6 | ICSD | 28253 | Pmma (51) | ✔ | 18 | 144 | 3 | 1.3837 | 1.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaNb2O6 | ICSD | 39272 | P2_1/c (14) | ✔ | 18 | 144 | 3 | 2.717 | 3.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaNb2V2O11 | ICSD | 165097 | R-3m (166) | ✔ | 16 | 128 | 2 | 2.2681 | 2.270 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaNb4O6 | ICSD | 42006 | P4/mmm (123) | ✔ | 11 | 98 | 3 | 0.0 | 0.003 | 0.660 | (1;111) | ✗ | 05/01/17 |
BaNb6O17 | COD | 9015043 | Immm (71) | ✔ | 24 | 190 | 2 | 0.0 | 0.012 | 0.670 | (1;111) | ✗ | 04/08/17 |
BaNbS3 | ICSD | 659538 | P6_3/mmc (194) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.531 | (0;000) | ✗ | 02/02/17 |
BaNi2(AsO4)2 | COD | 1007068 | R-3 (148) | ✔ | 13 | 88 | 2 | 0.0 | 0.001 | 0.194 | (1;000) | ✗ | 05/01/17 |
Ba(Ni2B)6 | COD | 8103483 | R-3m (166) | ✔ | 19 | 148 | 3 | 0.0 | 0.000 | 0.748 | (1;111) | ✗ | 02/02/17 |
BaNi2Ge | ICSD | 421431 | Pmmn (59) | ✔ | 8 | 68 | 3 | 0.0 | 0.035 | 0.272 | (0;010) | ✗ | 05/01/17 |
BaNi2(PO4)2 | COD | 2008469 | R-3 (148) | ✔ | 13 | 88 | 2 | 0.0 | 0.007 | 0.116 | (0;000) | ✗ | 05/01/17 |
Ba(NiAs)2 | ICSD | 609856 | I4/mmm (139) | ✔ | 5 | 40 | 2 | 0.0 | 0.003 | 0.647 | (1;111) | ✗ | 05/01/17 |
Ba(NiB)2 | ICSD | 612536 | Pnnm (58) | ✔ | 20 | 144 | 3 | 0.0 | 0.031 | 0.585 | (0;000) | ✗ | 02/02/17 |
BaNiF4 | ICSD | 23141 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 0.0 | 0.035 | 0.572 | (0;000) | ✔ | 06/10/16 |
BaNiF4 | ICSD | 261190 | Cmc2_1 (36) | ✗ | 12 | 96 | 2 | 0.0 | 0.011 | 0.578 | (1;000) | ✔ | 28/11/16 |
BaNiF4 | ICSD | 410708 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 0.0 | 0.002 | 0.581 | ? | ✗ | 06/10/16 |
BaNiF6 | ICSD | 35396 | R-3m (166) | ✔ | 8 | 62 | 1 | 1.4123 | 1.426 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaNiGe | COD | 4335167 | Pnma (62) | ✔ | 12 | 96 | 2 | 0.0 | 0.009 | 0.223 | (1;000) | ✗ | 02/02/17 |
BaNiO2 | COD | 1527692 | Cmcm (63) | ✔ | 8 | 64 | 2 | 0.0 | 0.025 | 0.027 | (0;000) | ✗ | 05/01/17 |
Ba(NiO2)4 | ICSD | 20898 | R-3m (166) | ✔ | 13 | 98 | 2 | 0.0 | 0.002 | 0.827 | (1;111) | ✗ | 05/01/17 |
BaNiO3 | ICSD | 15761 | Ccm2_1 (36) | ✗ | 10 | 76 | 1 | 1.009 | 1.179 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaNiO3 | COD | 2106603 | P6_3/mmc (194) | ✔ | 10 | 76 | 1 | 1.1864 | 1.283 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(NiP)2 | ICSD | 85408 | I4/mmm (139) | ✔ | 5 | 40 | 2 | 0.0 | 0.013 | 0.833 | (1;111) | ✗ | 05/01/17 |
Ba(NiP2)2 | ICSD | 79105 | I4/mmm (139) | ✔ | 7 | 50 | 2 | 0.0 | 0.004 | 0.466 | (0;000) | ✗ | 05/01/17 |
BaNiS2 | COD | 4123984 | P4/nmm (129) | ✔ | 8 | 64 | 2 | 0.0 | 0.020 | 0.175 | (0;001) | ✗ | 05/01/17 |
BaNiSn3 | ICSD | 58662 | I4mm (107) | ✗ | 5 | 62 | 3 | 0.0 | 0.004 | 0.383 | (0;110) | ✔ | 21/03/17 |
BaO | COD | 1011362 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.8783 | 1.878 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaO | COD | 1527735 | P4/nmm (129) | ✔ | 4 | 32 | 3 | 1.9651 | 1.965 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaO | ICSD | 173921 | P6_3/mmc (194) | ✔ | 4 | 32 | 1 | 2.2677 | 2.285 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaO2 | COD | 2001842 | I4/mmm (139) | ✔ | 3 | 22 | 1 | 2.1926 | 2.193 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaO2 | ICSD | 180398 | Cmmm (65) | ✔ | 3 | 22 | 2 | 0.6441 | 1.164 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaOsO3 | ICSD | 237730 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0 | 0.264 | 0.690 | (0;000) | ✗ | 05/01/17 |
BaP10 | ICSD | 35295 | Cmc2_1 (36) | ✗ | 22 | 120 | 1 | 1.0907 | 1.345 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba(P2Au)2 | COD | 4335202 | Fddd (70) | ✔ | 14 | 104 | 3 | 0.2951 | 0.652 | 0.000 | (0;000) | ✗ | 01/02/17 |
Ba(P2Pd)2 | ICSD | 75020 | I4/mmm (139) | ✔ | 7 | 66 | 2 | 0.0 | 0.025 | 0.332 | (0;000) | ✗ | 05/01/17 |
BaP3 | ICSD | 23618 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.6198 | 0.781 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaP3Pt2 | ICSD | 62520 | P2_1/c (14) | ✔ | 24 | 180 | 3 | 0.0952 | 0.530 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaP8 | ICSD | 96544 | P-1 (2) | ✔ | 18 | 100 | 1 | 0.7672 | 1.147 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaPAu | ICSD | 420340 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.003 | 0.182 | (1;000) | ✗ | 05/01/17 |
BaPb | ICSD | 616019 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.089 | 0.120 | (0;110) | ✗ | 05/01/17 |
BaPb | ICSD | 58664 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.085 | 0.123 | (0;110) | ✗ | 06/10/16 |
BaPb2BrF5 | ICSD | 411087 | P4/nmm (129) | ✔ | 18 | 160 | 1 | 2.9629 | 3.107 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaPb2IF5 | ICSD | 411088 | P4/nmm (129) | ✔ | 18 | 160 | 1 | 2.5121 | 2.681 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaPb3 | ICSD | 419973 | R-3m (166) | ✔ | 12 | 156 | 3 | 0.0 | 0.011 | 0.473 | (1;000) | ✗ | 02/02/17 |
BaPbF6 | ICSD | 25521 | R-3m (166) | ✔ | 8 | 66 | 1 | 3.4266 | 3.427 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaPbO3 | ICSD | 51659 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.691 | (0;000) | ✗ | 05/01/17 |
BaPbO3 | COD | 1528128 | Imma (74) | ✔ | 10 | 84 | 3 | 0.1566 | 0.157 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaPbO3 | ICSD | 245606 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.123 | (1;000) | ✗ | 05/01/17 |