▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▴ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 |
Co(C2N3)2 | COD | 7115193 | Pnnm (58) | ✔ | 22 | 126 | 3 | 0.0 | 0.000 | 0.867 | (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 |
H3C4O5 | COD | 5000188 | Cc (9) | ✗ | 24 | 98 | 1 | 4.4946 | 0.001 | 1.000 | (0;000) | ✗ | 04/08/17 |
H5C4N3 | COD | 2015716 | P2_1 (4) | ✗ | 24 | 72 | 1 | 4.7935 | 4.813 | 0.000 | (0;000) | ✗ | 04/08/17 |
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 |
Zr3Al3C5 | ICSD | 159412 | P6_3/mmc (194) | ✔ | 22 | 82 | 3 | 0.0 | 0.000 | 0.988 | (1;000) | ✗ | 04/08/17 |
Zr3Al3C5 | ICSD | 606293 | P6_3/mmc (194) | ✔ | 22 | 82 | 3 | 0.0 | 0.000 | 0.994 | (1;000) | ✗ | 04/08/17 |
C5NCl5 | COD | 7221875 | Pc (7) | ✗ | 22 | 120 | 1 | 3.4089 | 3.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
Fe(CO)5 | COD | 2310564 | C2/c (15) | ✔ | 22 | 116 | 2 | 3.6826 | 3.720 | 0.000 | (0;000) | ✗ | 04/08/17 |
H12C5O4 | COD | 2101361 | I-4 (82) | ✗ | 21 | 56 | 1 | 5.6597 | 5.684 | 0.000 | (0;000) | ✗ | 04/08/17 |
H5C5N2 | COD | 2203306 | P-1 (2) | ✔ | 24 | 70 | 1 | 2.377 | 2.436 | 0.000 | (0;000) | ✗ | 04/08/17 |
H3(C3F)2 | COD | 4102744 | P-1 (2) | ✔ | 22 | 82 | 2 | 2.9015 | 2.911 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li(C3N2)2 | COD | 4121261 | P2/c (13) | ✔ | 22 | 94 | 1 | 0.0 | 0.000 | 0.530 | (0;100) | ✗ | 04/08/17 |
H10C7O5 | COD | 7218172 | P1 (1) | ✗ | 22 | 68 | 1 | 4.6528 | 4.703 | 0.000 | (0;000) | ✗ | 04/08/17 |
Y4C7 | ICSD | 86049 | P2_1/c (14) | ✔ | 22 | 144 | 3 | 0.0 | 0.012 | 0.192 | (1;010) | ✗ | 04/08/17 |
H10C9O4 | COD | 2229064 | P1 (1) | ✗ | 23 | 70 | 1 | 3.3437 | 3.523 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ca2Fe9O13 | COD | 1524840 | C2/m (12) | ✔ | 24 | 170 | 3 | 0.0 | 0.006 | 0.586 | (1;111) | ✗ | 04/08/17 |
LiCa2Ge3 | ICSD | 25323 | Pnnm (58) | ✔ | 24 | 140 | 1 | 0.0 | 0.030 | 0.934 | (1;000) | ✗ | 04/08/17 |
LiCa2Si3 | ICSD | 25322 | Pnnm (58) | ✔ | 24 | 140 | 1 | 0.0 | 0.002 | 0.919 | (0;000) | ✗ | 04/08/17 |
Ca2PN3 | ICSD | 72532 | Cmce (64) | ✔ | 24 | 160 | 1 | 2.5689 | 2.623 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ca2VN3 | ICSD | 409644 | C2/c (15) | ✔ | 24 | 192 | 1 | 1.6877 | 1.751 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ca3Mn2O7 | COD | 1531133 | Cmcm (63) | ✔ | 24 | 204 | 3 | 0.0 | 0.003 | 0.614 | (0;000) | ✗ | 04/08/17 |
Ca3Ru2O7 | ICSD | 153772 | Cmc2_1 (36) | ✗ | 24 | 208 | 2 | 0.0 | 0.012 | 0.483 | ? | ✗ | 04/08/17 |
Ca3Ti2O7 | ICSD | 63705 | Cmc2_1 (36) | ✗ | 24 | 192 | 2 | 2.5075 | 2.512 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ca5Ir | ICSD | 156887 | Pnma (62) | ✔ | 24 | 268 | 1 | 0.0 | 0.000 | 0.625 | (1;110) | ✗ | 04/08/17 |
Ca6FeN5 | ICSD | 33796 | P6_3/mcm (193) | ✔ | 24 | 186 | 1 | 0.0 | 0.000 | 0.852 | (0;000) | ✗ | 04/08/17 |
Ca6GaN5 | ICSD | 33795 | P6_3/mcm (193) | ✔ | 24 | 196 | 1 | 0.6712 | 0.779 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ca6MnN5 | ICSD | 80184 | P6_3/mcm (193) | ✔ | 24 | 200 | 1 | 0.0 | 0.000 | 0.605 | (1;000) | ✗ | 04/08/17 |
Ca7(H6Cl)2 | ICSD | 420927 | P-6 (174) | ✗ | 21 | 96 | 1 | 3.6609 | 3.728 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ca7Ni4Sn13 | COD | 1528162 | P4/m (83) | ✔ | 24 | 292 | 3 | 0.0 | 0.003 | 0.911 | (1;110) | ✗ | 04/08/17 |
CaCd2Cu9 | ICSD | 424134 | P4/mbm (127) | ✔ | 24 | 266 | 3 | 0.0 | 0.000 | 0.906 | (0;111) | ✗ | 04/08/17 |
CaCuO2 | ICSD | 84868 | P2_1 (4) | ✗ | 16 | 132 | 3 | 0.0 | 0.029 | 0.279 | ? | ✗ | 04/08/17 |
CaMnF5 | COD | 1518174 | C2/c (15) | ✔ | 14 | 120 | 1 | 0.0 | 0.002 | 0.361 | (0;000) | ✗ | 04/08/17 |
CaGa4O7 | COD | 2002230 | C2/c (15) | ✔ | 24 | 208 | 3 | 3.0163 | 3.016 | 0.000 | (0;000) | ✗ | 04/08/17 |
Al2Mo3C | ICSD | 42917 | P4_132 (213) | ✗ | 24 | 208 | 3 | 0.0 | 0.004 | 0.309 | ? | ✗ | 04/08/17 |
Nb3Al2C | ICSD | 606237 | P4_132 (213) | ✗ | 24 | 196 | 3 | 0.0 | 0.000 | 0.354 | ? | ✗ | 04/08/17 |
Ta3Al2C | ICSD | 606257 | P4_132 (213) | ✗ | 24 | 196 | 3 | 0.0 | 0.000 | 0.399 | ? | ✗ | 04/08/17 |
CaMg2 | COD | 4313241 | P6_3/mmc (194) | ✔ | 24 | 240 | 1 | 0.0 | 0.001 | 0.755 | (1;000) | ✗ | 04/08/17 |
CaSO4 | COD | 9003568 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 6.4075 | 6.633 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaSO4 | COD | 9003569 | Pnma (62) | ✔ | 24 | 160 | 1 | 6.7502 | 6.838 | 0.000 | (0;000) | ✗ | 04/08/17 |