▴ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaBiIO2 | ICSD | 97511 | Cmcm (63) | ✔ | 10 | 88 | 2 | 2.3517 | 2.401 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaBiO3 | COD | 2101573 | Pba2 (32) | ✗ | 20 | 172 | 3 | 0.0 | 0.079 | 0.415 | ? | ✗ | 21/03/17 |
BaBiO3 | COD | 2100569 | P2_1/c (14) | ✔ | 20 | 172 | 3 | 0.0 | 1.096 | 0.032 | (0;000) | ✗ | 02/02/17 |
Ba(BiPd)2 | ICSD | 416299 | P2_1/m (11) | ✔ | 10 | 152 | 3 | 0.0 | 0.059 | 0.739 | (0;000) | ✗ | 02/02/17 |
Ba(BIr)2 | COD | 7209455 | I4/mmm (139) | ✔ | 5 | 50 | 2 | 0.0 | 0.001 | 0.558 | (1;001) | ✗ | 05/01/17 |
BaBPd4 | ICSD | 247264 | Pnma (62) | ✔ | 24 | 340 | 3 | 0.0 | 0.000 | 0.503 | (1;011) | ✗ | 04/08/17 |
BaBr2 | COD | 1527183 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.134 | 4.134 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaBrCl | ICSD | 35458 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.6167 | 4.617 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaBrF | COD | 9011174 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 4.6989 | 4.699 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(BRh)2 | COD | 7209430 | I4/mmm (139) | ✔ | 5 | 50 | 2 | 0.0 | 0.016 | 0.233 | (0;111) | ✗ | 05/01/17 |
Ba(BrO3)2 | ICSD | 40287 | Fdd2 (43) | ✗ | 18 | 120 | 1 | 4.3085 | 4.319 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ba(BrO3)2 | ICSD | 66035 | C2/c (15) | ✔ | 18 | 120 | 1 | 4.4622 | 4.477 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(BS2)2 | COD | 1510637 | Cc (9) | ✗ | 14 | 80 | 1 | 2.6688 | 2.785 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ba(BSe3)2 | COD | 1510647 | Cmce (64) | ✔ | 18 | 104 | 2 | 1.7291 | 1.739 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaC2 | ICSD | 186576 | R-3m (166) | ✔ | 3 | 18 | 1 | 1.1314 | 1.919 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaC2 | ICSD | 88102 | C2/c (15) | ✔ | 6 | 36 | 1 | 1.9008 | 2.015 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaC2(SN)2 | ICSD | 94428 | C2/c (15) | ✔ | 14 | 80 | 1 | 0.023 | 0.051 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCa2Mg(SiO4)2 | ICSD | 422406 | P-3 (147) | ✔ | 14 | 96 | 3 | 5.2458 | 5.351 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCaCO3 | ICSD | 27421 | P6_3mc (186) | ✗ | 12 | 84 | 1 | 0.0 | 0.030 | 0.029 | (0;000) | ✔ | 22/03/17 |
BaCa(CO3)2 | COD | 9013465 | P2_1/m (11) | ✔ | 20 | 128 | 1 | 4.8058 | 4.848 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCa(CO3)2 | COD | 1010917 | P2_1 (4) | ✗ | 20 | 128 | 2 | 2.6308 | 2.662 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaCa(CO3)2 | COD | 5910095 | P2_1 (4) | ✗ | 20 | 128 | 1 | 2.2809 | 2.293 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaCa(FeO2)4 | COD | 1008057 | P-31m (162) | ✔ | 14 | 100 | 2 | 0.0 | 0.000 | 0.787 | (0;001) | ✗ | 05/01/17 |
BaCa(GaO2)4 | COD | 2008101 | Imm2 (44) | ✗ | 14 | 120 | 3 | 3.2657 | 3.266 | 0.000 | (0;000) | ✗ | 15/02/17 |
BaCaGe | ICSD | 52681 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.1551 | 0.155 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCaPb | ICSD | 615799 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.0423 | 0.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCaSi | ICSD | 52682 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0365 | 0.037 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCaSn | ICSD | 58641 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.2045 | 0.227 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCd | ICSD | 615805 | Pm-3m (221) | ✔ | 2 | 22 | 1 | 0.0 | 0.000 | 0.663 | (1;000) | ✗ | 05/01/17 |
BaCd2 | ICSD | 58643 | Imma (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.042 | 0.486 | (1;111) | ✗ | 05/01/17 |
Ba(Cd2Pt)2 | COD | 4334058 | P4_2/mnm (136) | ✔ | 14 | 156 | 3 | 0.0 | 0.009 | 0.947 | (1;000) | ✗ | 02/02/17 |
Ba(CdAs)2 | ICSD | 30917 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.1831 | 0.183 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCdAsF | ICSD | 189938 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.8914 | 0.891 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCdBi2 | ICSD | 58635 | I4/mmm (139) | ✔ | 8 | 104 | 1 | 0.0 | 0.059 | 0.074 | (0;111) | ✗ | 02/02/17 |
BaCdGe | COD | 1527799 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.002 | 0.190 | (1;000) | ✗ | 05/01/17 |
Ba(CdGe)2 | ICSD | 174263 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.038 | 0.327 | (1;111) | ✗ | 05/01/17 |
BaCdO2 | ICSD | 25555 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.0459 | 1.070 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(CdP)2 | ICSD | 30915 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.7653 | 0.773 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCdPF | ICSD | 189937 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.1441 | 1.144 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCdS2 | ICSD | 66655 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.8142 | 1.814 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCdSb2 | ICSD | 52683 | I4/mmm (139) | ✔ | 8 | 64 | 1 | 0.0 | 0.030 | 0.180 | (0;000) | ✗ | 02/02/17 |
BaCdSbF | ICSD | 421815 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.0848 | 0.085 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCl2 | COD | 9009003 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 5.5411 | 5.596 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCl2 | ICSD | 2190 | P-62m (189) | ✗ | 9 | 72 | 1 | 4.5187 | 4.519 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaCl2 | COD | 1527182 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.8999 | 4.900 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaClF | COD | 1530187 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.4116 | 5.412 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(ClO3)2 | ICSD | 40285 | Fdd2 (43) | ✗ | 18 | 120 | 1 | 5.5421 | 5.639 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ba(ClO4)2 | COD | 2240592 | Fddd (70) | ✔ | 22 | 144 | 1 | 5.9888 | 5.989 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaCN2 | ICSD | 75041 | R-3c (167) | ✔ | 24 | 144 | 1 | 0.723 | 0.994 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaCo2P2H2O9 | ICSD | 84830 | C2 (5) | ✗ | 16 | 110 | 2 | 0.0 | 0.007 | 0.518 | ? | ✗ | 15/02/17 |
BaCo2(PO4)2 | ICSD | 250709 | P-3 (147) | ✔ | 13 | 102 | 2 | 0.0 | 0.025 | 0.281 | (0;000) | ✗ | 05/01/17 |
BaCO3 | COD | 9006846 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.2133 | 4.219 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCO3 | COD | 1011149 | Pnma (62) | ✔ | 20 | 128 | 2 | 4.4216 | 4.463 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCO3 | ICSD | 158389 | R3m (160) | ✗ | 5 | 32 | 1 | 3.7206 | 3.786 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaCO3 | ICSD | 158390 | R3m (160) | ✗ | 5 | 32 | 1 | 3.7237 | 3.789 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaCO3 | COD | 9006847 | P6_3/mmc (194) | ✔ | 10 | 64 | 1 | 4.3243 | 4.751 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba(CO)4 | ICSD | 412830 | I4/mcm (140) | ✔ | 18 | 100 | 1 | 2.5686 | 2.652 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(CoAs)2 | ICSD | 609848 | I4/mmm (139) | ✔ | 5 | 54 | 2 | 0.0 | 0.006 | 0.581 | (1;000) | ✗ | 05/01/17 |
BaCoF4 | ICSD | 26067 | Ccm2_1 (36) | ✗ | 12 | 94 | 2 | 0.0 | 0.000 | 0.968 | ? | ✗ | 06/10/16 |
BaCoF4 | ICSD | 261189 | Ccm2_1 (36) | ✗ | 12 | 94 | 2 | 0.0 | 0.000 | 0.965 | ? | ✗ | 06/10/16 |
Ba(CoGe)2 | ICSD | 420975 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.001 | 0.560 | (1;000) | ✗ | 05/01/17 |
BaCoO3 | ICSD | 88670 | C2mm (38) | ✗ | 10 | 74 | 1 | 0.0 | 0.000 | 0.897 | ? | ✗ | 06/10/16 |
BaCoS2 | COD | 1005029 | P4/nmm (129) | ✔ | 8 | 78 | 2 | 0.0 | 0.000 | 0.774 | (1;000) | ✗ | 05/01/17 |
Ba(CrAs)2 | ICSD | 609849 | I4/mmm (139) | ✔ | 5 | 48 | 2 | 0.0 | 0.006 | 0.557 | (1;000) | ✗ | 05/01/17 |
BaCrF6 | COD | 1525278 | R-3m (166) | ✔ | 8 | 66 | 1 | 0.0 | 0.000 | 0.174 | (0;000) | ✗ | 05/01/17 |
BaCrO3 | ICSD | 35029 | P6_3/mmc (194) | ✔ | 20 | 168 | 3 | 0.0 | 0.004 | 0.700 | (1;000) | ✗ | 02/02/17 |
BaCrO4 | COD | 5910178 | Pnma (62) | ✔ | 24 | 192 | 1 | 4.1477 | 4.160 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaCrS2 | COD | 4321901 | Pmmn (59) | ✔ | 8 | 72 | 2 | 0.0 | 0.013 | 0.275 | (0;000) | ✗ | 05/01/17 |
BaCSNCl | ICSD | 94400 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 4.1497 | 4.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCu | ICSD | 58646 | P6_3/mmc (194) | ✔ | 8 | 84 | 2 | 0.0 | 0.003 | 0.217 | (0;000) | ✗ | 02/02/17 |
Ba(Cu2As)2 | COD | 1521018 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.0 | 0.006 | 0.401 | (1;000) | ✗ | 05/01/17 |
Ba(Cu2As)4 | ICSD | 66017 | I4/m (87) | ✔ | 13 | 118 | 3 | 0.0 | 0.002 | 0.977 | (1;111) | ✗ | 30/01/17 |
Ba(Cu2P)4 | ICSD | 66016 | I4/m (87) | ✔ | 13 | 118 | 3 | 0.0 | 0.005 | 0.981 | (1;111) | ✗ | 02/02/17 |
Ba(Cu3As)2 | ICSD | 79256 | P4/mmm (123) | ✔ | 9 | 86 | 2 | 0.0 | 0.002 | 0.654 | (1;001) | ✗ | 05/01/17 |
BaCu4S3 | COD | 1527568 | Cmcm (63) | ✔ | 16 | 144 | 1 | 0.3901 | 0.626 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCuAs | ICSD | 41705 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.214 | 0.134 | (0;000) | ✗ | 05/01/17 |
Ba(CuAs)2 | ICSD | 609850 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.053 | 0.240 | (1;111) | ✗ | 05/01/17 |
BaCuBi | COD | 1527798 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.003 | 0.179 | (1;000) | ✗ | 05/01/17 |
BaCuF4 | ICSD | 9930 | Cmc2_1 (36) | ✗ | 12 | 98 | 2 | 0.0 | 0.000 | 0.474 | (1;000) | ✔ | 28/11/16 |
BaCuN | COD | 1005050 | C2/c (15) | ✔ | 18 | 156 | 3 | 0.0 | 0.029 | 0.020 | (1;110) | ✗ | 02/02/17 |
Ba(CuO)2 | COD | 2002215 | I4_1/amd (141) | ✔ | 10 | 88 | 3 | 1.3364 | 1.336 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCuP | ICSD | 52684 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.374 | 0.167 | (0;000) | ✗ | 05/01/17 |
Ba(CuP2)2 | ICSD | 68802 | Fddd (70) | ✔ | 14 | 104 | 2 | 0.0 | 0.100 | 0.128 | (1;111) | ✗ | 02/02/17 |
Ba(CuS)2 | COD | 1521193 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.8873 | 0.887 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(CuS)2 | ICSD | 615832 | I4/mmm (139) | ✔ | 5 | 44 | 2 | 0.5441 | 0.544 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCuSb | ICSD | 57020 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.123 | 0.162 | (0;000) | ✗ | 05/01/17 |
Ba(CuSb)2 | ICSD | 236308 | P4/nmm (129) | ✔ | 10 | 84 | 3 | 0.0 | 0.010 | 0.517 | (1;000) | ✗ | 02/02/17 |
Ba(CuSe)2 | COD | 1521196 | I4/mmm (139) | ✔ | 5 | 44 | 2 | 0.3094 | 0.309 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(CuSe)2 | COD | 1521194 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.4905 | 0.491 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCuSeF | ICSD | 75585 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4025 | 1.403 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCu(SeO3)2 | ICSD | 202388 | C2/c (15) | ✔ | 20 | 138 | 2 | 0.0 | 0.000 | 0.983 | (1;101) | ✗ | 02/02/17 |
BaCuSF | ICSD | 183712 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.6889 | 1.689 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCuSn2 | ICSD | 58648 | Cmcm (63) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.864 | (1;000) | ✗ | 02/02/17 |
Ba(CuTe)2 | ICSD | 51444 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.4661 | 0.483 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCuTeF | ICSD | 245624 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.8274 | 0.827 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaF2 | ICSD | 41650 | Pnma (62) | ✔ | 12 | 96 | 1 | 7.3138 | 7.314 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaF2 | COD | 9009004 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 6.7708 | 6.829 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaF2 | ICSD | 41651 | P6_3/mmc (194) | ✔ | 6 | 48 | 2 | 5.7976 | 6.002 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaFe2(PO4)2 | ICSD | 237763 | P-1 (2) | ✔ | 13 | 84 | 2 | 0.0 | 0.011 | 0.134 | (0;001) | ✗ | 05/01/17 |
BaFe2(PO4)2 | ICSD | 424895 | R-3 (148) | ✔ | 13 | 84 | 2 | 0.1447 | 0.225 | 0.000 | (0;000) | ✗ | 05/01/17 |