▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sb2AsS2 | COD | 9001702 | C2/m (12) | ✔ | 10 | 54 | 3 | 0.1714 | 0.253 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba(SnAu)2 | COD | 4338536 | P4/nmm (129) | ✔ | 10 | 120 | 3 | 0.0 | 0.012 | 0.854 | (0;000) | ✗ | 30/01/17 |
ZnAs | COD | 4340531 | Pbca (61) | ✔ | 16 | 136 | 3 | 0.3354 | 0.637 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba(P2Au)2 | COD | 4335202 | Fddd (70) | ✔ | 14 | 104 | 3 | 0.2951 | 0.652 | 0.000 | (0;000) | ✗ | 01/02/17 |
BaAu | COD | 1510584 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.005 | 0.453 | (1;011) | ✗ | 30/01/17 |
K3Sb2Au3 | COD | 1510504 | R-3m (166) | ✔ | 8 | 70 | 2 | 0.7493 | 0.749 | 0.000 | (0;000) | ✗ | 30/01/17 |
Sr3Au2 | COD | 1510468 | R-3 (148) | ✔ | 15 | 156 | 1 | 0.0 | 0.005 | 0.428 | (0;000) | ✗ | 30/01/17 |
SrGeAu3 | COD | 4117647 | P4/nmm (129) | ✔ | 10 | 94 | 3 | 0.0 | 0.000 | 0.813 | (1;000) | ✗ | 30/01/17 |
Ba4NaAuO8 | COD | 2002622 | I4/mmm (139) | ✔ | 14 | 108 | 1 | 0.863 | 0.981 | 0.000 | (0;000) | ✗ | 30/01/17 |
K(InAu2)2 | COD | 4110908 | I4/mcm (140) | ✔ | 14 | 158 | 3 | 0.0 | 0.000 | 0.562 | (1;000) | ✗ | 30/01/17 |
Rb3Au7 | COD | 7209422 | Cmmm (65) | ✔ | 10 | 104 | 3 | 0.0 | 0.045 | 0.348 | (1;111) | ✗ | 30/01/17 |
RbAuF4 | COD | 1510144 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 1.9704 | 1.977 | 0.000 | (0;000) | ✗ | 02/02/17 |
InI | COD | 9008983 | Cmcm (63) | ✔ | 4 | 40 | 3 | 1.1696 | 1.170 | 0.000 | (0;000) | ✗ | 30/01/17 |
TeAuCl7 | COD | 7209382 | P-1 (2) | ✔ | 18 | 132 | 1 | 1.6215 | 1.787 | 0.000 | (0;000) | ✗ | 30/01/17 |
CaGaAu | COD | 1510615 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.039 | 0.506 | (1;000) | ✗ | 30/01/17 |
AuBr | COD | 1510609 | I4_1/amd (141) | ✔ | 8 | 72 | 3 | 1.431 | 1.431 | 0.000 | (0;000) | ✗ | 30/01/17 |
AuBr | COD | 1510610 | P4_2/ncm (138) | ✔ | 8 | 72 | 2 | 1.7201 | 1.721 | 0.000 | (0;000) | ✗ | 30/01/17 |
TlAuCl4 | COD | 2018865 | C2/c (15) | ✔ | 12 | 104 | 1 | 1.7994 | 1.820 | 0.000 | (0;000) | ✗ | 30/01/17 |
AuCl2 | COD | 4027825 | P-1 (2) | ✔ | 12 | 100 | 1 | 0.7863 | 1.209 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbAuCl4 | COD | 8103425 | C2/c (15) | ✔ | 12 | 96 | 1 | 2.0009 | 2.007 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZnI2 | COD | 9009137 | R-3m (166) | ✔ | 3 | 26 | 2 | 1.1064 | 1.334 | 0.000 | (0;000) | ✗ | 30/01/17 |
BaIF | COD | 9011175 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 3.635 | 3.635 | 0.000 | (0;000) | ✗ | 30/01/17 |
AuClO | COD | 2105387 | R-3 (148) | ✔ | 18 | 144 | 3 | 1.1439 | 1.248 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cs3AuO | COD | 1510109 | P6_3/mmc (194) | ✔ | 10 | 88 | 1 | 1.5275 | 1.528 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZnI2 | COD | 9009122 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 1.4754 | 1.561 | 0.000 | (0;000) | ✗ | 30/01/17 |
Na4I2O | COD | 9007749 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 2.299 | 2.299 | 0.000 | (0;000) | ✗ | 30/01/17 |
PbI2 | COD | 9009142 | R-3m (166) | ✔ | 3 | 28 | 2 | 1.436 | 1.436 | 0.000 | (0;000) | ✗ | 30/01/17 |
KAuF4 | COD | 1510138 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 2.2533 | 2.253 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2IN | COD | 2215222 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.861 | 1.861 | 0.000 | (0;000) | ✗ | 30/01/17 |
NaIO4 | COD | 2106357 | I4_1/a (88) | ✔ | 12 | 80 | 1 | 2.3682 | 2.392 | 0.000 | (0;000) | ✗ | 30/01/17 |
LiI | COD | 9008669 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 3.9399 | 3.940 | 0.000 | (0;000) | ✗ | 30/01/17 |
NaIO4 | COD | 1010016 | I4_1/a (88) | ✔ | 12 | 80 | 3 | 0.0 | 0.014 | 0.493 | (1;111) | ✗ | 30/01/17 |
Sr2IN | COD | 1528373 | R-3m (166) | ✔ | 4 | 32 | 2 | 0.0 | 0.003 | 0.437 | (1;000) | ✗ | 30/01/17 |
NaI | COD | 9008681 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.3039 | 3.304 | 0.000 | (0;000) | ✗ | 30/01/17 |
IN | COD | 9015547 | Pm-3m (221) | ✔ | 2 | 12 | 1 | 0.0 | 0.005 | 0.477 | (1;111) | ✗ | 30/01/17 |
CuAuSe4 | COD | 4331413 | P2_1/m (11) | ✔ | 12 | 92 | 3 | 0.0 | 0.639 | 0.074 | (0;000) | ✗ | 02/02/17 |
TlI | COD | 9008981 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.4934 | 1.671 | 0.000 | (0;000) | ✗ | 30/01/17 |
I | COD | 1512512 | Cmce (64) | ✔ | 4 | 28 | 1 | 0.7424 | 0.768 | 0.000 | (0;000) | ✗ | 30/01/17 |
TlI | COD | 9008795 | Pm-3m (221) | ✔ | 2 | 20 | 1 | 0.7515 | 1.593 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsTeAu | COD | 1510107 | Pmma (51) | ✔ | 6 | 52 | 2 | 1.0182 | 1.018 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAuSe3 | COD | 1510105 | C2/c (15) | ✔ | 10 | 76 | 2 | 1.1162 | 1.357 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAuSe | COD | 1510104 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.5866 | 1.850 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsBeH3 | COD | 4343938 | P2_1/m (11) | ✔ | 10 | 32 | 1 | 3.2267 | 3.555 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3(GeN)2 | COD | 1005031 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 0.0 | 0.017 | 0.965 | (0;010) | ✗ | 02/02/17 |
Y2Au | COD | 2018284 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.002 | 0.595 | (0;011) | ✗ | 02/02/17 |
K5P2Au | COD | 1008880 | P6_3/mmc (194) | ✔ | 16 | 132 | 1 | 0.5298 | 0.532 | 0.000 | (0;000) | ✗ | 02/02/17 |
AuI | COD | 9008986 | P4_2/ncm (138) | ✔ | 8 | 72 | 2 | 1.3722 | 1.708 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAuI3 | COD | 7209388 | P2_1/c (14) | ✔ | 20 | 164 | 2 | 0.6758 | 0.676 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAuI4 | COD | 1510187 | P2_1/c (14) | ✔ | 12 | 84 | 1 | 0.4995 | 0.624 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3AuSe2 | COD | 8103427 | R-3c (167) | ✔ | 12 | 100 | 1 | 2.0665 | 2.145 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te2AuI | COD | 1510184 | Pmma (51) | ✔ | 8 | 60 | 3 | 0.0 | 0.059 | 0.239 | (1;010) | ✗ | 02/02/17 |
K2PAu | COD | 1008465 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.8255 | 0.826 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sb2Au | COD | 9016730 | Pa3 (205) | ✔ | 12 | 84 | 3 | 0.0 | 0.000 | 0.781 | (1;111) | ✗ | 02/02/17 |
NaAuSe2 | COD | 1510244 | P2_1/c (14) | ✔ | 16 | 128 | 2 | 0.9668 | 1.097 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAuS | COD | 4319429 | Fddd (70) | ✔ | 12 | 80 | 3 | 1.05 | 1.050 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3AuS2 | COD | 1510251 | R-3c (167) | ✔ | 12 | 100 | 1 | 2.363 | 2.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbTeAu | COD | 1510283 | Pmma (51) | ✔ | 6 | 52 | 1 | 0.7785 | 0.779 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbAuO | COD | 8101135 | I4/mmm (139) | ✔ | 12 | 104 | 0 | 0.0 | 0.004 | 0.611 | (1;000) | ✗ | 02/02/17 |
TlPAuSe3 | COD | 4000517 | C2/m (12) | ✔ | 12 | 94 | 1 | 0.8936 | 1.034 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3Cr2O8 | COD | 2216715 | R-3m (166) | ✔ | 13 | 106 | 1 | 0.0 | 0.000 | 0.359 | (0;000) | ✗ | 02/02/17 |
YB4 | COD | 8103481 | P4/mbm (127) | ✔ | 20 | 92 | 3 | 0.0 | 0.002 | 0.218 | (1;001) | ✗ | 02/02/17 |
Hf3B2Ir5 | COD | 1510712 | P4/mbm (127) | ✔ | 20 | 254 | 3 | 0.0 | 0.000 | 0.996 | (0;001) | ✗ | 02/02/17 |
Ba(BSe3)2 | COD | 1510647 | Cmce (64) | ✔ | 18 | 104 | 2 | 1.7291 | 1.739 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cd2B2O5 | COD | 2202291 | P-1 (2) | ✔ | 18 | 120 | 3 | 2.687 | 2.709 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y(BRh)4 | COD | 1511508 | P4_2/nmc (137) | ✔ | 18 | 182 | 3 | 0.0 | 0.000 | 0.889 | (0;000) | ✗ | 02/02/17 |
Li2B2S5 | COD | 1510745 | Cmcm (63) | ✔ | 18 | 84 | 1 | 2.4066 | 2.475 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2B2Se5 | COD | 1510746 | C2/c (15) | ✔ | 18 | 84 | 3 | 1.7208 | 1.912 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3In2Cl2O5 | COD | 2002522 | I4/mmm (139) | ✔ | 12 | 100 | 2 | 1.6797 | 2.375 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2Cd2Sb3 | COD | 7024288 | C2/m (12) | ✔ | 14 | 118 | 1 | 0.0 | 0.020 | 0.063 | (1;110) | ✗ | 02/02/17 |
Ca3(B3Rh4)2 | COD | 1511571 | Fmmm (69) | ✔ | 17 | 184 | 3 | 0.0 | 0.015 | 0.685 | (1;000) | ✗ | 02/02/17 |
Ba2ZnBi2 | COD | 4315627 | Ibam (72) | ✔ | 10 | 124 | 1 | 0.0 | 0.008 | 0.301 | (0;000) | ✗ | 02/02/17 |
Ba3(CdSb2)2 | COD | 4306710 | C2/m (12) | ✔ | 9 | 74 | 3 | 0.0 | 0.034 | 0.033 | (0;110) | ✗ | 02/02/17 |
Ba2PdF6 | COD | 1521027 | Cmce (64) | ✔ | 18 | 160 | 1 | 1.8177 | 1.818 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2ZnSb2 | COD | 4315626 | Ibam (72) | ✔ | 10 | 84 | 1 | 0.0964 | 0.317 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3NaBe2F8 | COD | 1008068 | P-3m1 (164) | ✔ | 14 | 100 | 1 | 6.6979 | 6.755 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaIn4Ir | COD | 4305632 | Pmma (51) | ✔ | 12 | 158 | 3 | 0.0 | 0.000 | 0.878 | (0;000) | ✗ | 02/02/17 |
Ba(CuS)2 | COD | 1521193 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.8873 | 0.887 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4Na(SbO4)3 | COD | 2001366 | Im-3m (229) | ✔ | 20 | 136 | 3 | 1.8829 | 1.962 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3V2O8 | COD | 4305862 | R-3m (166) | ✔ | 13 | 104 | 1 | 3.6786 | 3.872 | 0.000 | (0;000) | ✗ | 02/02/17 |
KBa4Bi3O | COD | 2011038 | I4/mcm (140) | ✔ | 18 | 200 | 1 | 0.5807 | 0.663 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCl2 | COD | 1527182 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.8999 | 4.900 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaBiO3 | COD | 2100569 | P2_1/c (14) | ✔ | 20 | 172 | 3 | 0.0 | 1.096 | 0.032 | (0;000) | ✗ | 02/02/17 |
Ba(Cd2Pt)2 | COD | 4334058 | P4_2/mnm (136) | ✔ | 14 | 156 | 3 | 0.0 | 0.009 | 0.947 | (1;000) | ✗ | 02/02/17 |
Ba(InP)2 | COD | 2017325 | P2_1/m (11) | ✔ | 20 | 184 | 1 | 0.3999 | 0.411 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(GaP)2 | COD | 4316404 | P2_1/c (14) | ✔ | 20 | 184 | 1 | 1.428 | 1.428 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCuN | COD | 1005050 | C2/c (15) | ✔ | 18 | 156 | 3 | 0.0 | 0.029 | 0.020 | (1;110) | ✗ | 02/02/17 |
BaSbSe2F | COD | 1101163 | P-1 (2) | ✔ | 20 | 136 | 1 | 1.1197 | 1.373 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaI2 | COD | 1527184 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.9738 | 2.974 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaGe6 | COD | 4341768 | Cmcm (63) | ✔ | 14 | 68 | 3 | 0.0 | 0.005 | 0.938 | (0;110) | ✗ | 02/02/17 |
BaNiGe | COD | 4335167 | Pnma (62) | ✔ | 12 | 96 | 2 | 0.0 | 0.009 | 0.223 | (1;000) | ✗ | 02/02/17 |
CsBSe3 | COD | 1511083 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 1.7859 | 1.948 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaTiS3 | COD | 2310546 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.019 | 0.133 | (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 |
Ba(Mo3S4)2 | COD | 9007736 | R-3 (148) | ✔ | 15 | 142 | 3 | 0.0 | 0.036 | 0.438 | (1;000) | ✗ | 02/02/17 |
BaN6 | COD | 8103674 | P2_1/m (11) | ✔ | 14 | 80 | 1 | 3.9887 | 3.989 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaTaS3 | COD | 4343774 | P6_3/mmc (194) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.573 | (0;000) | ✗ | 02/02/17 |
BaRhO3 | COD | 1527219 | P6_3/mmc (194) | ✔ | 20 | 180 | 3 | 0.0 | 0.002 | 0.877 | (1;000) | ✗ | 02/02/17 |
BaPd | COD | 9016560 | C2/c (15) | ✔ | 4 | 56 | 1 | 0.0 | 0.010 | 0.519 | (1;000) | ✗ | 02/02/17 |
Cs3BP2 | COD | 8103455 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.8676 | 1.908 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSn3 | COD | 1508415 | P6_3/mmc (194) | ✔ | 8 | 104 | 1 | 0.0 | 0.005 | 0.754 | (0;000) | ✗ | 02/02/17 |