▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TlRe3(Se2Cl)2 | ICSD | 162300 | P-1 (2) | ✔ | 20 | 192 | 2 | 1.4376 | 1.556 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlCdCl3 | ICSD | 39807 | Pnma (62) | ✔ | 20 | 184 | 2 | 2.8952 | 2.896 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2CdCl4 | COD | 2310671 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 3.4013 | 3.913 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2CrCl4 | ICSD | 47129 | I4/mmm (139) | ✔ | 7 | 60 | 2 | 0.0 | 0.012 | 0.220 | (0;000) | ✗ | 02/02/17 |
Rb2CdCl4 | ICSD | 51168 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 3.2651 | 3.747 | 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 |
Ba(TeO3)2 | ICSD | 8017 | Cmcm (63) | ✔ | 18 | 116 | 2 | 2.1918 | 2.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
H3(C3F)2 | COD | 4102744 | P-1 (2) | ✔ | 22 | 82 | 2 | 2.9015 | 2.911 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZrIN | ICSD | 190381 | R-3m (166) | ✔ | 6 | 32 | 2 | 0.4372 | 1.429 | 0.000 | (0;000) | ✗ | 30/01/17 |
Rb2PbCl6 | COD | 1010241 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.5379 | 1.538 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrIN | ICSD | 36119 | Pmmn (59) | ✔ | 6 | 32 | 2 | 1.1231 | 1.123 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ca3Ti2O7 | ICSD | 63705 | Cmc2_1 (36) | ✗ | 24 | 192 | 2 | 2.5075 | 2.512 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na6CdCl8 | ICSD | 35070 | Fm-3m (225) | ✔ | 15 | 122 | 2 | 3.4215 | 3.422 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaGaBO3F2 | ICSD | 91315 | P6_3/m (176) | ✔ | 16 | 116 | 2 | 5.2302 | 5.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
VOF3 | COD | 4339753 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 3.4086 | 3.433 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAuF4 | ICSD | 152056 | Immm (71) | ✔ | 12 | 96 | 2 | 2.2813 | 2.467 | 0.000 | (0;000) | ✗ | 02/02/17 |
CrSiTe3 | ICSD | 626810 | R-3 (148) | ✔ | 10 | 72 | 2 | 0.0 | 0.030 | 0.030 | (1;111) | ✗ | 02/02/17 |
CsAuO | COD | 1510102 | I4/mmm (139) | ✔ | 12 | 104 | 2 | 1.8084 | 1.808 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlBS2 | COD | 4027829 | R-3m (166) | ✔ | 24 | 168 | 2 | 0.0 | 0.038 | 1.000 | (1;011) | ✗ | 04/08/17 |
Cs3Bi2Br9 | COD | 2106376 | P-3m1 (164) | ✔ | 14 | 120 | 2 | 1.7199 | 1.866 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsTeAu | COD | 1510107 | Pmma (51) | ✔ | 6 | 52 | 2 | 1.0182 | 1.018 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi3ClO4 | COD | 8101670 | C2/c (15) | ✔ | 16 | 152 | 2 | 2.3289 | 2.362 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsPbI3 | COD | 4335639 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8656 | 1.893 | 0.000 | (0;000) | ✗ | 22/03/17 |
BiBr3 | COD | 8103605 | P2_1/c (14) | ✔ | 16 | 144 | 2 | 2.133 | 2.198 | 0.000 | (0;000) | ✗ | 02/02/17 |
PW6Cl17 | ICSD | 422270 | Imm2 (44) | ✗ | 24 | 292 | 2 | 0.0 | 0.003 | 0.428 | ? | ✗ | 04/08/17 |
Cs2NaBiCl6 | ICSD | 59195 | Fm-3m (225) | ✔ | 10 | 84 | 2 | 2.9309 | 3.206 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuSe2O5 | COD | 2211417 | C2/c (15) | ✔ | 16 | 106 | 2 | 0.0 | 0.001 | 0.263 | (1;011) | ✗ | 02/02/17 |
Mg3Si2H4O9 | COD | 9001639 | P31m (157) | ✗ | 18 | 96 | 2 | 4.6081 | 4.611 | 0.000 | (0;000) | ✗ | 15/02/17 |
TlCdI3 | ICSD | 8009 | Pnma (62) | ✔ | 20 | 184 | 2 | 1.8407 | 1.934 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li3Ni2SbO6 | ICSD | 183999 | C2/m (12) | ✔ | 12 | 70 | 2 | 0.0 | 0.005 | 0.390 | (0;000) | ✗ | 29/03/17 |
RuCl3 | ICSD | 20717 | P3_112 (151) | ✗ | 24 | 222 | 2 | 0.0 | 0.009 | 0.598 | ? | ✗ | 04/08/17 |
K2CdO2 | ICSD | 25004 | Pbcn (60) | ✔ | 20 | 168 | 2 | 1.4489 | 1.475 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg3Si2(H2O3)3 | COD | 9001778 | P31m (157) | ✗ | 20 | 98 | 2 | 1.899 | 2.582 | 0.000 | (0;000) | ✗ | 15/02/17 |
BiSe | ICSD | 617073 | P-3m1 (164) | ✔ | 12 | 126 | 2 | 0.0 | 0.114 | 0.007 | (0;001) | ✗ | 02/02/17 |
BiTe | COD | 9000678 | P-3m1 (164) | ✔ | 12 | 126 | 2 | 0.0457 | 0.097 | 0.000 | (0;001) | ✗ | 02/02/17 |
CdPS3 | ICSD | 620232 | C2/m (12) | ✔ | 10 | 70 | 2 | 1.6575 | 1.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta2Te4Br10O | ICSD | 401906 | P-1 (2) | ✔ | 17 | 126 | 2 | 0.9159 | 1.069 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgI2 | COD | 9014434 | P4_2/nmc (137) | ✔ | 6 | 52 | 2 | 0.8955 | 0.896 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaI2O | COD | 2004011 | C2/m (12) | ✔ | 8 | 66 | 2 | 0.7657 | 0.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbSnI3 | ICSD | 400934 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8086 | 1.882 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdPSe3 | ICSD | 620234 | R-3 (148) | ✔ | 10 | 70 | 2 | 1.1098 | 1.259 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ga2CuCl8 | COD | 1530952 | P2_1/c (14) | ✔ | 22 | 186 | 2 | 0.0 | 0.000 | 0.665 | (0;010) | ✗ | 04/08/17 |
Nb(SeBr)2 | COD | 4030177 | P-1 (2) | ✔ | 10 | 78 | 2 | 0.0 | 0.066 | 0.211 | (1;001) | ✗ | 02/02/17 |
K3Cu2F7 | COD | 1527503 | I4/mmm (139) | ✔ | 12 | 98 | 2 | 0.0 | 0.057 | 0.657 | (0;000) | ✗ | 22/03/17 |
As(CN)3 | ICSD | 35330 | C2 (5) | ✗ | 14 | 64 | 2 | 1.6993 | 1.742 | 0.000 | (0;000) | ✗ | 21/03/17 |
CdInBr3 | ICSD | 79512 | Pnma (62) | ✔ | 20 | 184 | 2 | 2.0556 | 2.245 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAlH2CO5 | ICSD | 153303 | Cmcm (63) | ✔ | 20 | 96 | 2 | 4.9809 | 4.988 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlInI4 | ICSD | 418802 | P2_1/m (11) | ✔ | 24 | 176 | 2 | 2.5366 | 2.621 | 0.000 | (0;000) | ✗ | 04/08/17 |
Tl2PAuS4 | ICSD | 85680 | P2_1/m (11) | ✔ | 16 | 132 | 2 | 0.9005 | 0.970 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgPSe3 | ICSD | 642731 | R-3 (148) | ✔ | 10 | 66 | 2 | 2.0858 | 2.086 | 0.000 | (0;000) | ✗ | 02/02/17 |