▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TlBrO4 | ICSD | 65659 | Pnma (62) | ✔ | 24 | 176 | 1 | 3.7139 | 3.827 | 0.000 | (0;000) | ✗ | 04/08/17 |
Te2Br | COD | 1527657 | Pnma (62) | ✔ | 24 | 152 | 1 | 0.0 | 0.462 | 0.060 | (0;000) | ✗ | 04/08/17 |
TlBS2 | COD | 4027829 | R-3m (166) | ✔ | 24 | 168 | 2 | 0.0 | 0.038 | 1.000 | (1;011) | ✗ | 04/08/17 |
AgC2N3 | COD | 9007855 | Pnma (62) | ✔ | 24 | 136 | 3 | 3.3948 | 3.569 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsC2N3 | ICSD | 249791 | C2/c (15) | ✔ | 24 | 128 | 1 | 4.6862 | 4.686 | 0.000 | (0;000) | ✗ | 04/08/17 |
C2(OF2)3 | ICSD | 401780 | P-1 (2) | ✔ | 22 | 136 | 1 | 4.7561 | 4.795 | 0.000 | (0;000) | ✗ | 04/08/17 |
H3C2N | COD | 2103498 | P2_1/c (14) | ✔ | 24 | 64 | 1 | 7.2294 | 7.259 | 0.000 | (0;000) | ✗ | 04/08/17 |
H3C2N | COD | 5000306 | P-1 (2) | ✔ | 24 | 64 | 1 | 3.0551 | 3.102 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrCuAs | ICSD | 107943 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.185 | 0.079 | (0;000) | ✗ | 05/01/17 |
H3C2O | COD | 2216740 | P-1 (2) | ✔ | 24 | 68 | 2 | 3.2998 | 3.326 | 0.000 | (0;000) | ✗ | 04/08/17 |
AsF5 | ICSD | 65477 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 5.6073 | 5.607 | 0.000 | (0;000) | ✗ | 05/01/17 |
HC2F | COD | 2223886 | C2/c (15) | ✔ | 24 | 96 | 1 | 4.7694 | 4.810 | 0.000 | (0;000) | ✗ | 04/08/17 |
HC2F | COD | 4116822 | C2/c (15) | ✔ | 24 | 96 | 1 | 4.5863 | 4.606 | 0.000 | (0;000) | ✗ | 04/08/17 |
KC2N3 | ICSD | 411930 | Pbcm (57) | ✔ | 24 | 128 | 1 | 4.8139 | 4.859 | 0.000 | (0;000) | ✗ | 04/08/17 |
KC2N3 | ICSD | 411931 | P2_1/c (14) | ✔ | 24 | 128 | 1 | 4.3977 | 4.398 | 0.000 | (0;000) | ✗ | 04/08/17 |
KC2N3 | ICSD | 411932 | Pnma (62) | ✔ | 24 | 128 | 1 | 3.8498 | 3.850 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiC2N3 | ICSD | 425113 | P2/c (13) | ✔ | 24 | 104 | 1 | 4.6615 | 4.874 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaC2N3 | COD | 4300181 | Pnma (62) | ✔ | 24 | 128 | 1 | 4.1109 | 4.141 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbC2N3 | ICSD | 411934 | Pbcm (57) | ✔ | 24 | 128 | 1 | 4.5564 | 4.557 | 0.000 | (0;000) | ✗ | 04/08/17 |
C3Br2O | COD | 7206336 | P2_1/c (14) | ✔ | 24 | 128 | 1 | 1.2333 | 1.269 | 0.000 | (0;000) | ✗ | 04/08/17 |
C3Cl2O | COD | 7202469 | P2_1/c (14) | ✔ | 24 | 128 | 1 | 1.4252 | 1.472 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sc2CrC3 | ICSD | 39202 | Pbam (55) | ✔ | 24 | 192 | 3 | 0.0 | 0.001 | 0.685 | (0;000) | ✗ | 04/08/17 |
C3IF2 | COD | 7208556 | P2_1/c (14) | ✔ | 24 | 132 | 1 | 2.7461 | 2.746 | 0.000 | (0;000) | ✗ | 04/08/17 |
H2C3Cl | COD | 2006743 | P2_1/c (14) | ✔ | 24 | 84 | 1 | 4.0279 | 4.071 | 0.000 | (0;000) | ✗ | 04/08/17 |
H2C3F | COD | 4116821 | P2_1/c (14) | ✔ | 24 | 84 | 1 | 4.1064 | 4.146 | 0.000 | (0;000) | ✗ | 04/08/17 |
H2C3O | COD | 2002929 | P-1 (2) | ✔ | 24 | 80 | 1 | 1.6811 | 1.714 | 0.000 | (0;000) | ✗ | 04/08/17 |
H2C3S | COD | 2016192 | P-1 (2) | ✔ | 24 | 80 | 1 | 0.0 | 0.081 | 0.158 | (0;000) | ✗ | 04/08/17 |
H4C3N4 | COD | 2012828 | P-1 (2) | ✔ | 22 | 72 | 1 | 2.1696 | 2.279 | 0.000 | (0;000) | ✗ | 04/08/17 |
H4C3O4 | COD | 4507995 | P-1 (2) | ✔ | 22 | 80 | 3 | 2.2883 | 2.328 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiY(CuP)2 | ICSD | 628287 | P-3m1 (164) | ✔ | 6 | 46 | 3 | 0.0 | 0.370 | 0.150 | (0;000) | ✗ | 27/01/17 |
HC3Cl2 | COD | 2100447 | P-1 (2) | ✔ | 24 | 108 | 1 | 3.4831 | 3.649 | 0.000 | (0;000) | ✗ | 04/08/17 |
HC3F2 | COD | 4116823 | P2_1/c (14) | ✔ | 24 | 108 | 2 | 3.7951 | 4.119 | 0.000 | (0;000) | ✗ | 04/08/17 |
C3S7O | ICSD | 165374 | P-1 (2) | ✔ | 22 | 120 | 1 | 1.8563 | 2.224 | 0.000 | (0;000) | ✗ | 04/08/17 |
C3S8 | COD | 2001128 | P-1 (2) | ✔ | 22 | 120 | 1 | 1.5344 | 1.628 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ca(C2N3)2 | ICSD | 411362 | C2/c (15) | ✔ | 22 | 112 | 1 | 4.6058 | 4.612 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cd(C2N3)2 | ICSD | 413334 | Pnnm (58) | ✔ | 22 | 116 | 3 | 3.7244 | 3.887 | 0.000 | (0;000) | ✗ | 04/08/17 |
C4S3Cl4 | COD | 7008813 | P-1 (2) | ✔ | 22 | 124 | 1 | 1.7848 | 1.895 | 0.000 | (0;000) | ✗ | 04/08/17 |
H2C4O5 | COD | 2102818 | C2/c (15) | ✔ | 22 | 96 | 1 | 0.0 | 0.003 | 0.172 | (0;000) | ✗ | 04/08/17 |
Co(C2N3)2 | COD | 7115193 | Pnnm (58) | ✔ | 22 | 126 | 3 | 0.0 | 0.000 | 0.867 | (0;000) | ✗ | 04/08/17 |
InAsF6 | ICSD | 417952 | R-3 (148) | ✔ | 8 | 60 | 1 | 4.2374 | 4.350 | 0.000 | (0;000) | ✗ | 05/01/17 |
KAsF6 | COD | 2310606 | R-3m (166) | ✔ | 8 | 56 | 1 | 3.9593 | 3.959 | 0.000 | (0;000) | ✗ | 05/01/17 |
H5C4N3 | COD | 2207775 | C2/c (15) | ✔ | 24 | 72 | 1 | 2.9527 | 2.971 | 0.000 | (0;000) | ✗ | 04/08/17 |
H5(C2O)2 | COD | 4113700 | P-1 (2) | ✔ | 22 | 66 | 1 | 2.6956 | 2.724 | 0.000 | (0;000) | ✗ | 04/08/17 |
H5(C2O)2 | COD | 4113701 | P-1 (2) | ✔ | 22 | 66 | 1 | 2.693 | 2.728 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mg(C2N3)2 | ICSD | 411361 | Pnnm (58) | ✔ | 22 | 112 | 3 | 5.0384 | 5.038 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mn(C2N3)2 | COD | 1526680 | Pnnm (58) | ✔ | 22 | 122 | 3 | 0.0 | 0.000 | 0.729 | (0;000) | ✗ | 04/08/17 |
C4S3N5 | COD | 4116668 | P-1 (2) | ✔ | 24 | 118 | 1 | 0.0 | 0.002 | 0.875 | (0;010) | ✗ | 04/08/17 |
Ni(C2N3)2 | ICSD | 85617 | Pnnm (58) | ✔ | 22 | 112 | 3 | 0.0 | 0.004 | 0.267 | (0;000) | ✗ | 04/08/17 |
Sr(C2N3)2 | ICSD | 411363 | C2/c (15) | ✔ | 22 | 112 | 1 | 4.6628 | 4.672 | 0.000 | (0;000) | ✗ | 04/08/17 |
Hf3Al3C5 | ICSD | 161587 | P6_3/mmc (194) | ✔ | 22 | 130 | 3 | 0.0 | 0.000 | 0.997 | (1;000) | ✗ | 04/08/17 |