▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cd2AsCl2 | COD | 1001161 | P2_1/c (14) | ✔ | 20 | 172 | 3 | 1.2332 | 1.371 | 0.000 | (0;000) | ✗ | 21/03/17 |
K3YF6 | ICSD | 416296 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 6.6499 | 6.735 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta3VSe6 | ICSD | 651970 | P6_322 (182) | ✗ | 20 | 176 | 3 | 0.0 | 0.000 | 0.550 | ? | ✗ | 29/03/17 |
RbBeH3 | COD | 4343941 | P2_1/c (14) | ✔ | 20 | 64 | 1 | 3.2803 | 3.280 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2LiGaF6 | ICSD | 50468 | R-3m (166) | ✔ | 20 | 152 | 1 | 6.4902 | 6.490 | 0.000 | (0;000) | ✗ | 02/02/17 |
KCu4AsS4 | ICSD | 75430 | P2_1 (4) | ✗ | 20 | 164 | 3 | 1.3981 | 1.462 | 0.000 | (0;000) | ✗ | 21/03/17 |
KBeH3 | COD | 4343937 | P2_1/c (14) | ✔ | 20 | 64 | 1 | 3.2474 | 3.247 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2AsCl2 | ICSD | 39930 | C2/m (12) | ✔ | 20 | 172 | 3 | 1.4642 | 1.834 | 0.000 | (0;000) | ✗ | 21/03/17 |
SbH(OF3)2 | ICSD | 408055 | P-1 (2) | ✔ | 20 | 120 | 1 | 4.8204 | 0.025 | 1.000 | (0;000) | ✗ | 02/02/17 |
H6C2SeO | COD | 2015142 | P-1 (2) | ✔ | 20 | 52 | 1 | 4.0465 | 4.129 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y3Sb4Au3 | COD | 2105392 | I-43d (220) | ✗ | 20 | 172 | 3 | 0.5301 | 0.673 | 0.000 | (0;000) | ✗ | 21/03/17 |
SbAsO3 | COD | 9015432 | P2_1/c (14) | ✔ | 20 | 112 | 2 | 0.0 | 3.554 | 1.000 | (0;000) | ✗ | 21/03/17 |
KAsO3 | COD | 4511752 | P2_12_12_1 (19) | ✗ | 20 | 128 | 1 | 3.9695 | 3.970 | 0.000 | (0;000) | ✗ | 21/03/17 |
KRb2ScF6 | ICSD | 81679 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 6.7988 | 6.811 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2CoReO6 | ICSD | 173491 | P2_1/c (14) | ✔ | 20 | 176 | 3 | 0.0 | 0.035 | 0.475 | (0;000) | ✗ | 02/02/17 |
BeSO8 | COD | 9014047 | I4/mcm (140) | ✔ | 20 | 116 | 1 | 0.0 | 0.002 | 0.475 | (1;000) | ✗ | 02/02/17 |
CsB(CN)4 | COD | 4308582 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 6.6641 | 6.715 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg3B(OF)3 | COD | 9009572 | P6_3/m (176) | ✔ | 20 | 144 | 3 | 5.6931 | 5.716 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na(CO)2 | ICSD | 154355 | P2_1/c (14) | ✔ | 20 | 116 | 1 | 2.5928 | 2.593 | 0.000 | (0;000) | ✗ | 02/02/17 |
KRb2YF6 | ICSD | 73472 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 6.2959 | 6.332 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi2S3 | ICSD | 153946 | Pmnb (62) | ✔ | 20 | 112 | 2 | 0.9478 | 0.980 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi2S3 | ICSD | 201066 | Pmcn (62) | ✔ | 20 | 112 | 2 | 0.9742 | 1.010 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZnS | COD | 9000085 | P6_3mc (186) | ✗ | 20 | 180 | 3 | 2.0884 | 2.088 | 0.000 | (0;000) | ✗ | 29/03/17 |
C2SeN2 | ICSD | 173995 | Cmce (64) | ✔ | 20 | 96 | 1 | 0.0 | 0.137 | 0.007 | (0;000) | ✗ | 02/02/17 |
C2N3 | COD | 4029897 | Cmce (64) | ✔ | 20 | 92 | 1 | 1.3238 | 1.324 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3MnF6 | COD | 4322721 | P2_1/c (14) | ✔ | 20 | 168 | 1 | 0.0114 | 0.032 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbP(OF3)2 | ICSD | 51535 | P-1 (2) | ✔ | 20 | 128 | 1 | 5.0835 | 5.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3ScF6 | ICSD | 400723 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 7.041 | 7.074 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3NiF6 | ICSD | 26073 | P2_1/c (14) | ✔ | 20 | 158 | 1 | 0.0 | 0.000 | 0.920 | (0;000) | ✗ | 02/02/17 |
Na3VF6 | ICSD | 27347 | P2_1/c (14) | ✔ | 20 | 164 | 1 | 0.0 | 0.003 | 0.034 | (0;000) | ✗ | 02/02/17 |
Bi2Se3 | ICSD | 171571 | Pmnb (62) | ✔ | 20 | 112 | 2 | 0.5886 | 0.597 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb5Au3O2 | COD | 1510508 | Pbam (55) | ✔ | 20 | 180 | 1 | 0.6586 | 0.689 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ba(InAu)2 | COD | 4308151 | Pnma (62) | ✔ | 20 | 232 | 3 | 0.0 | 0.006 | 0.938 | (0;000) | ✗ | 21/03/17 |
Bi2Se3 | ICSD | 60205 | Pmcn (62) | ✔ | 20 | 112 | 2 | 0.5886 | 0.597 | 0.000 | (0;000) | ✗ | 06/10/16 |
K3Sb2N2O6F7 | ICSD | 200740 | C2/m (12) | ✔ | 20 | 132 | 1 | 2.8769 | 2.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
C2S2O | COD | 2008373 | P2_1/c (14) | ✔ | 20 | 104 | 2 | 2.5413 | 2.574 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3Ir(CN)3 | ICSD | 424762 | P6_3/m (176) | ✔ | 20 | 148 | 1 | 0.6652 | 1.246 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y2ReC2 | ICSD | 69098 | Pnma (62) | ✔ | 20 | 180 | 3 | 0.0 | 0.001 | 0.456 | (1;011) | ✗ | 02/02/17 |
Sb2S3 | COD | 9007243 | Pnma (62) | ✔ | 20 | 112 | 2 | 1.0863 | 1.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
CoTe(PbO3)2 | ICSD | 169193 | P2_1/c (14) | ✔ | 20 | 174 | 3 | 0.0 | 0.000 | 0.876 | (0;000) | ✗ | 02/02/17 |
RbZrMnF7 | ICSD | 78042 | P2_1/m (11) | ✔ | 20 | 154 | 3 | 0.0 | 0.000 | 0.863 | (1;000) | ✗ | 02/02/17 |
Li3AlH6 | COD | 1532615 | R-3 (148) | ✔ | 20 | 36 | 2 | 3.6166 | 3.945 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsC3(SeN)3 | ICSD | 4101 | C2/c (15) | ✔ | 20 | 108 | 1 | 1.9235 | 2.016 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr3Co(CN)3 | ICSD | 423302 | P6_3/m (176) | ✔ | 20 | 148 | 1 | 1.2302 | 1.634 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y2SnAu2 | ICSD | 130047 | P4_2/mnm (136) | ✔ | 20 | 232 | 3 | 0.0 | 0.013 | 0.477 | (0;000) | ✗ | 21/03/17 |
Sr(InAu)2 | COD | 4308152 | Pnma (62) | ✔ | 20 | 232 | 3 | 0.0 | 0.009 | 0.886 | (0;000) | ✗ | 21/03/17 |
ZrMnTlF7 | ICSD | 78041 | P2_1/m (11) | ✔ | 20 | 162 | 3 | 0.0 | 0.000 | 0.722 | (1;001) | ✗ | 02/02/17 |
CsAu2F7 | ICSD | 152057 | C2/c (15) | ✔ | 20 | 160 | 1 | 2.0658 | 2.094 | 0.000 | (0;000) | ✗ | 21/03/17 |
Nb3Au2 | ICSD | 612191 | P4_132 (213) | ✗ | 20 | 244 | 3 | 0.0 | 0.000 | 0.820 | ? | ✗ | 21/03/17 |
H4C3N2Cl | COD | 2005472 | C2/m (12) | ✔ | 20 | 66 | 1 | 2.2005 | 2.250 | 0.000 | (0;000) | ✗ | 02/02/17 |