▴ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba4LiCu(CO5)2 | COD | 2002734 | I-42m (121) | ✗ | 18 | 122 | 2 | 1.1212 | 1.566 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ba4Li(SbO4)3 | ICSD | 202200 | Im-3m (229) | ✔ | 20 | 130 | 3 | 2.0478 | 2.129 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4NaAuO8 | COD | 2002622 | I4/mmm (139) | ✔ | 14 | 108 | 1 | 0.863 | 0.981 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba4Na(BiO4)3 | ICSD | 77640 | Im-3m (229) | ✔ | 20 | 166 | 3 | 0.0 | 0.000 | 0.084 | (0;000) | ✗ | 02/02/17 |
Ba4Na(BN2)3 | ICSD | 401210 | Im-3m (229) | ✔ | 14 | 88 | 1 | 2.0643 | 2.504 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4NaCu(CO5)2 | ICSD | 80606 | I-42m (121) | ✗ | 18 | 128 | 1 | 1.1718 | 1.606 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ba4Na(SbO4)3 | COD | 2001366 | Im-3m (229) | ✔ | 20 | 136 | 3 | 1.8829 | 1.962 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4P2O | ICSD | 33906 | Cmce (64) | ✔ | 14 | 112 | 1 | 0.8159 | 0.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4PtO6 | ICSD | 65706 | R-3c (167) | ✔ | 22 | 172 | 1 | 1.8753 | 1.933 | 0.000 | (0;000) | ✗ | 07/08/17 |
Ba4Sb2O | ICSD | 402284 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 0.2284 | 0.228 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4Zr3S10 | ICSD | 72656 | I4/mmm (139) | ✔ | 17 | 112 | 2 | 0.1499 | 0.382 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ba4Zr(RuO4)3 | ICSD | 47133 | R-3m (166) | ✔ | 20 | 164 | 3 | 0.0 | 0.002 | 0.486 | (0;111) | ✗ | 21/03/17 |
Ba5As3 | ICSD | 43872 | P6_3/mcm (193) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.726 | (0;000) | ✗ | 30/01/17 |
Ba5Bi3 | ICSD | 41839 | P6_3/mcm (193) | ✔ | 16 | 190 | 1 | 0.0 | 0.000 | 0.703 | (1;000) | ✗ | 02/02/17 |
Ba5Cd2(Sb2O)2 | ICSD | 423458 | C2/m (12) | ✔ | 13 | 106 | 3 | 0.0 | 0.057 | 0.125 | (1;111) | ✗ | 02/02/17 |
Ba5CrN5 | ICSD | 82360 | C2/m (12) | ✔ | 22 | 178 | 1 | 0.1358 | 0.333 | 0.000 | (0;000) | ✗ | 07/08/17 |
Ba5Nb4O15 | ICSD | 95192 | P-3m1 (164) | ✔ | 24 | 192 | 1 | 2.8172 | 2.827 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba5Pb3 | ICSD | 58668 | I4/mcm (140) | ✔ | 16 | 184 | 1 | 0.0 | 0.007 | 0.558 | (0;111) | ✗ | 02/02/17 |
Ba5Sb3 | ICSD | 616108 | P6_3/mcm (193) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.631 | (0;000) | ✗ | 02/02/17 |
Ba5Sb4 | COD | 2008660 | Cmce (64) | ✔ | 18 | 140 | 1 | 0.2358 | 0.564 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba5Sn3 | COD | 7221208 | I4/mcm (140) | ✔ | 16 | 184 | 1 | 0.0 | 0.021 | 0.569 | (0;111) | ✗ | 02/02/17 |
Ba5Ta4O15 | COD | 2106435 | P-3m1 (164) | ✔ | 24 | 192 | 1 | 0.3425 | 0.343 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba5Ta4O15 | COD | 2310386 | P-3m1 (164) | ✔ | 24 | 192 | 1 | 0.8298 | 0.831 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba6Ga5N | ICSD | 77731 | R-3c (167) | ✔ | 24 | 260 | 1 | 0.0 | 0.003 | 0.093 | (1;000) | ✗ | 04/08/17 |
Ba6Os2N6O | ICSD | 419467 | R-3 (148) | ✔ | 15 | 128 | 1 | 0.0 | 0.007 | 0.163 | (1;000) | ✗ | 02/02/17 |
Ba6Re2N6O | ICSD | 419636 | R-3 (148) | ✔ | 15 | 126 | 1 | 0.0 | 0.046 | 0.473 | (1;111) | ✗ | 02/02/17 |
Ba7Al10 | ICSD | 420092 | R-3m (166) | ✔ | 17 | 100 | 1 | 0.0 | 0.042 | 0.127 | (1;000) | ✗ | 16/03/17 |
Ba7Al4Ge9 | ICSD | 417660 | Fmm2 (42) | ✗ | 20 | 118 | 1 | 0.0 | 0.011 | 0.418 | ? | ✗ | 16/03/17 |
Ba7(ClF6)2 | ICSD | 87084 | P-6 (174) | ✗ | 21 | 168 | 1 | 6.1133 | 6.113 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba8Sb4H2O | ICSD | 415034 | I4/mmm (139) | ✔ | 15 | 108 | 1 | 0.3874 | 0.387 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ba9In4 | ICSD | 421410 | I4/m (87) | ✔ | 13 | 142 | 1 | 0.0 | 0.002 | 0.722 | (1;000) | ✗ | 02/02/17 |
BaAg | ICSD | 260623 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.353 | (1;011) | ✗ | 06/10/16 |
BaAg | COD | 2105337 | Pnma (62) | ✔ | 8 | 84 | 2 | 0.0 | 0.002 | 0.417 | (1;011) | ✗ | 30/01/17 |
BaAg2 | COD | 1509681 | Imma (74) | ✔ | 6 | 64 | 3 | 0.0 | 0.021 | 0.390 | (0;000) | ✗ | 05/01/17 |
BaAg2GeS4 | ICSD | 10040 | I-42m (121) | ✗ | 8 | 60 | 3 | 0.5735 | 1.186 | 0.000 | (0;000) | ✗ | 16/03/17 |
BaAg2GeSe4 | ICSD | 411405 | I222 (23) | ✗ | 8 | 60 | 3 | 0.0 | 0.402 | 0.044 | (0;000) | ✔ | 16/03/17 |
BaAg2(HgO2)2 | COD | 2002859 | P4/nbm (125) | ✔ | 18 | 160 | 3 | 1.2907 | 1.563 | 0.000 | (0;000) | ✗ | 30/01/17 |
BaAg2SnS4 | ICSD | 41898 | I222 (23) | ✗ | 8 | 70 | 3 | 0.3815 | 1.163 | 0.000 | (0;000) | ✔ | 16/03/17 |
BaAg2SnSe4 | COD | 4000566 | I222 (23) | ✗ | 8 | 70 | 3 | 0.0 | 0.526 | 0.035 | (0;000) | ✔ | 16/03/17 |
BaAgAs | COD | 7209304 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.020 | 0.007 | (1;000) | ✗ | 05/01/17 |
BaAgBi | COD | 2200912 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.003 | 0.161 | (1;000) | ✗ | 05/01/17 |
BaAgBi | COD | 1509219 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.157 | 0.393 | (1;000) | ✗ | 05/01/17 |
Ba(AgGe)2 | COD | 7209360 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.037 | 0.770 | (0;000) | ✗ | 05/01/17 |
BaAgP | COD | 7209317 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.1741 | 0.383 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(AgS)2 | COD | 1509711 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.9156 | 0.916 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaAgSb | ICSD | 56981 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.223 | 0.085 | (0;000) | ✗ | 05/01/17 |
BaAgSb | COD | 1509224 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.052 | 0.465 | (1;000) | ✗ | 05/01/17 |
BaAgSeF | ICSD | 183714 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.2151 | 1.215 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaAgSF | ICSD | 183713 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4697 | 1.470 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(AgSn)2 | COD | 7209364 | I4/mmm (139) | ✔ | 5 | 60 | 3 | 0.0 | 0.039 | 0.778 | (0;000) | ✗ | 05/01/17 |
Ba(AgTe)2 | ICSD | 246048 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.5488 | 0.549 | 0.000 | (0;000) | ✗ | 16/03/17 |
BaAgTeF | ICSD | 419382 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.3753 | 1.375 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaAl2 | ICSD | 246193 | Fd-3m (227) | ✔ | 6 | 32 | 3 | 0.0 | 0.000 | 0.593 | (0;000) | ✗ | 05/01/17 |
BaAl2B2O7 | ICSD | 409171 | R32 (155) | ✗ | 12 | 64 | 2 | 4.8336 | 4.843 | 0.000 | (0;000) | ✗ | 15/02/17 |
BaAl2O4 | COD | 1010039 | P6_322 (182) | ✗ | 14 | 80 | 3 | 3.8461 | 4.116 | 0.000 | (0;000) | ✗ | 16/03/17 |
BaAl2Sb2O7 | ICSD | 154362 | R32 (155) | ✗ | 12 | 68 | 2 | 3.3911 | 3.600 | 0.000 | (0;000) | ✗ | 16/03/17 |
BaAl2(SiO4)2 | ICSD | 191252 | P-3 (147) | ✔ | 13 | 72 | 2 | 4.838 | 4.951 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaAl2(SiO4)2 | ICSD | 188056 | P-3 (147) | ✔ | 13 | 72 | 3 | 0.3812 | 0.447 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaAl4 | ICSD | 57513 | I4/mmm (139) | ✔ | 5 | 22 | 3 | 0.0 | 0.042 | 0.115 | (1;000) | ✗ | 05/01/17 |
BaAl4S7 | COD | 1518017 | Pmn2_1 (31) | ✗ | 24 | 128 | 3 | 3.0756 | 3.286 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaAl4Se7 | COD | 7015593 | Pc (7) | ✗ | 24 | 128 | 3 | 2.4123 | 2.412 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaAlBO3F2 | ICSD | 91316 | P6_3/m (176) | ✔ | 16 | 96 | 2 | 6.2505 | 6.548 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaAlBO3F2 | ICSD | 421141 | P-62c (190) | ✗ | 16 | 96 | 2 | 6.3966 | 6.552 | 0.000 | (0;000) | ✗ | 15/02/17 |
Ba(AlCl4)2 | ICSD | 56735 | P2/c (13) | ✔ | 22 | 144 | 1 | 5.5847 | 5.609 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba(AlGe)2 | COD | 1532737 | Pnma (62) | ✔ | 20 | 96 | 3 | 0.0 | 0.004 | 0.120 | (0;000) | ✗ | 30/01/17 |
Ba(AlGe)2 | COD | 1532740 | I4/mmm (139) | ✔ | 5 | 24 | 2 | 0.0 | 0.028 | 0.264 | (0;000) | ✗ | 05/01/17 |
Ba(AlSi)2 | ICSD | 153385 | I4/mmm (139) | ✔ | 5 | 24 | 2 | 0.0 | 0.000 | 0.319 | (1;000) | ✗ | 05/01/17 |
Ba(AlSi)2 | ICSD | 153384 | Cmcm (63) | ✔ | 10 | 48 | 3 | 0.0 | 0.005 | 0.310 | (1;110) | ✗ | 30/01/17 |
Ba(AlSi)2 | COD | 4308098 | Pnma (62) | ✔ | 20 | 96 | 3 | 0.0 | 0.031 | 0.135 | (0;000) | ✗ | 30/01/17 |
Ba(AlTe2)2 | ICSD | 41165 | P4/nbm (125) | ✔ | 14 | 80 | 1 | 1.3483 | 1.348 | 0.000 | (0;000) | ✗ | 30/01/17 |
BaAs2 | ICSD | 414139 | Pc (7) | ✗ | 18 | 120 | 1 | 0.3452 | 0.346 | 0.000 | (0;000) | ✔ | 24/04/17 |
BaAs2Pd | ICSD | 405110 | Cmcm (63) | ✔ | 8 | 76 | 3 | 0.0 | 0.030 | 0.506 | (1;000) | ✗ | 05/01/17 |
BaAs2Pt | ICSD | 405112 | Cmcm (63) | ✔ | 8 | 60 | 3 | 0.0 | 0.025 | 0.569 | (0;000) | ✗ | 05/01/17 |
BaAs3 | ICSD | 86402 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.0 | 0.032 | 0.224 | (1;001) | ✔ | 30/01/17 |
Ba(As3Pt2)2 | ICSD | 62519 | C2/c (15) | ✔ | 22 | 160 | 3 | 0.308 | 0.368 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaAsAu | ICSD | 420341 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.000 | 0.046 | (1;000) | ✗ | 05/01/17 |
Ba(AsPd)2 | ICSD | 61196 | I4/mmm (139) | ✔ | 5 | 56 | 3 | 0.0 | 0.023 | 0.752 | (1;111) | ✗ | 05/01/17 |
Ba(AsPd)2 | ICSD | 36377 | I4/mmm (139) | ✔ | 10 | 112 | 3 | 0.0 | 0.011 | 0.884 | (0;111) | ✗ | 16/03/17 |
Ba(AsPd)2 | ICSD | 36376 | P4/mmm (123) | ✔ | 5 | 56 | 2 | 0.0 | 0.001 | 0.612 | (1;000) | ✗ | 05/01/17 |
BaAsPt | ICSD | 59192 | P2_13 (198) | ✗ | 12 | 100 | 3 | 0.0 | 0.000 | 0.396 | (0;111) | ✔ | 26/04/17 |
Ba(AsRh)2 | ICSD | 416983 | I4/mmm (139) | ✔ | 5 | 54 | 2 | 0.0 | 0.008 | 0.622 | (1;000) | ✗ | 05/01/17 |
Ba(AsRu)2 | ICSD | 602110 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.002 | 0.513 | (1;111) | ✗ | 05/01/17 |
BaAu | COD | 1510584 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.005 | 0.453 | (1;011) | ✗ | 30/01/17 |
BaAu | ICSD | 419559 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.005 | 0.453 | (1;011) | ✗ | 06/10/16 |
BaAu2 | COD | 1510358 | P6/mmm (191) | ✔ | 3 | 32 | 2 | 0.0 | 0.089 | 0.386 | (1;000) | ✗ | 05/01/17 |
Ba(AuF4)2 | COD | 1510360 | I-4 (82) | ✗ | 22 | 176 | 1 | 2.4753 | 2.477 | 0.000 | (0;000) | ✗ | 07/08/17 |
Ba(AuO2)2 | COD | 1510361 | I4_1/a (88) | ✔ | 14 | 112 | 3 | 1.4882 | 1.531 | 0.000 | (0;000) | ✗ | 30/01/17 |
BaB2F8 | COD | 2016138 | C2/m (12) | ✔ | 11 | 72 | 1 | 8.347 | 8.354 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaB6 | COD | 1009052 | Pm-3m (221) | ✔ | 7 | 28 | 3 | 0.0 | 0.006 | 0.010 | (1;111) | ✗ | 05/01/17 |
BaBClF4 | ICSD | 188654 | Pmn2_1 (31) | ✗ | 14 | 96 | 1 | 6.2092 | 6.211 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaBeF4 | COD | 5910312 | Pnma (62) | ✔ | 24 | 168 | 1 | 7.8184 | 7.862 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba(BeN)2 | ICSD | 415304 | I4/mcm (140) | ✔ | 10 | 56 | 1 | 1.3639 | 1.449 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaBePO4F | ICSD | 200922 | P1 (1) | ✗ | 16 | 100 | 1 | 6.2132 | 6.473 | 0.000 | (0;000) | ✗ | 15/02/17 |
BaBeSiO4 | ICSD | 86792 | Cm (8) | ✗ | 7 | 42 | 1 | 4.4044 | 4.449 | 0.000 | (0;000) | ✗ | 15/02/17 |
BaBi4(BrO3)2 | ICSD | 63366 | I4/mmm (139) | ✔ | 13 | 120 | 1 | 0.0 | 0.002 | 0.570 | (1;111) | ✗ | 21/03/17 |
BaBi4(ClO3)2 | ICSD | 63365 | I4/mmm (139) | ✔ | 13 | 120 | 2 | 0.0 | 0.001 | 0.671 | (0;111) | ✗ | 21/03/17 |
BaBi4(IO2)2 | ICSD | 63367 | I4/mmm (139) | ✔ | 11 | 108 | 1 | 0.0 | 0.015 | 0.963 | (0;000) | ✗ | 21/03/17 |
BaBiAu | COD | 1510590 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.026 | 0.361 | (1;000) | ✗ | 05/01/17 |
BaBiBS4 | COD | 4316058 | C2/m (12) | ✔ | 14 | 104 | 1 | 1.6965 | 1.890 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaBiClO2 | ICSD | 79532 | Cmcm (63) | ✔ | 10 | 88 | 1 | 3.0027 | 3.028 | 0.000 | (0;000) | ✗ | 02/02/17 |