▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
H2O2 | COD | 9014214 | P4_12_12 (92) | ✗ | 16 | 56 | 1 | 4.7599 | 4.772 | 0.000 | (0;000) | ✗ | 15/02/17 |
TaNi3 | ICSD | 54304 | P2_1/m (11) | ✔ | 16 | 172 | 3 | 0.0 | 0.026 | 0.810 | (1;011) | ✗ | 27/01/17 |
NaC | COD | 1521140 | I4_1/acd (142) | ✔ | 16 | 104 | 1 | 3.5905 | 3.703 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3Pb5 | ICSD | 165184 | Cmcm (63) | ✔ | 16 | 200 | 1 | 0.0 | 0.066 | 0.282 | (0;110) | ✗ | 02/02/17 |
Ba3Sn5 | ICSD | 167166 | Cmcm (63) | ✔ | 16 | 200 | 1 | 0.0 | 0.007 | 0.366 | (1;110) | ✗ | 02/02/17 |
Sc3Si3Ni2 | ICSD | 65760 | Cmcm (63) | ✔ | 16 | 130 | 3 | 0.0 | 0.000 | 0.916 | (0;000) | ✗ | 02/02/17 |
Ni2SnP | ICSD | 61097 | Pnma (62) | ✔ | 16 | 156 | 3 | 0.0 | 0.000 | 0.901 | (1;011) | ✗ | 02/02/17 |
Sc3Co2Si3 | ICSD | 41745 | Cmcm (63) | ✔ | 16 | 158 | 3 | 0.0 | 0.000 | 0.898 | (1;000) | ✗ | 02/02/17 |
V5P3 | ICSD | 648274 | P6_3/mcm (193) | ✔ | 16 | 160 | 3 | 0.0 | 0.001 | 0.602 | (0;000) | ✗ | 27/01/17 |
CsBr3 | ICSD | 22130 | Pnma (62) | ✔ | 16 | 120 | 1 | 2.1955 | 2.251 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaWO2 | COD | 5910071 | I4_1/a (88) | ✔ | 16 | 144 | 3 | 0.0 | 0.017 | 0.346 | (1;111) | ✗ | 02/02/17 |
NaCSN | ICSD | 953 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.1824 | 4.311 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hf3Co2Si3 | ICSD | 623796 | Cmcm (63) | ✔ | 16 | 164 | 3 | 0.0 | 0.007 | 0.913 | (0;000) | ✗ | 02/02/17 |
RuBr3 | COD | 4000456 | Pmmn (59) | ✔ | 16 | 148 | 1 | 0.0 | 0.128 | 0.380 | (0;000) | ✗ | 02/02/17 |
Sc3Co2Ge3 | COD | 1527681 | Cmcm (63) | ✔ | 16 | 158 | 3 | 0.0 | 0.000 | 0.899 | (1;000) | ✗ | 02/02/17 |
ICl | ICSD | 23886 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 1.283 | 1.441 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiCl2O | COD | 7028093 | P-1 (2) | ✔ | 16 | 96 | 1 | 5.8349 | 5.921 | 0.000 | (0;000) | ✗ | 02/02/17 |
InI3 | ICSD | 23136 | P2_1/c (14) | ✔ | 16 | 136 | 1 | 1.996 | 1.996 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrPd3 | COD | 1523504 | P6_3/mmc (194) | ✔ | 16 | 232 | 3 | 0.0 | 0.002 | 0.523 | (0;000) | ✗ | 02/02/17 |
YPd3S4 | ICSD | 648764 | Pm-3n (223) | ✔ | 16 | 178 | 3 | 0.0 | 0.000 | 0.649 | (0;000) | ✗ | 02/02/17 |
TiPd3 | ICSD | 649049 | P6_3/mmc (194) | ✔ | 16 | 264 | 3 | 0.0 | 0.001 | 0.361 | (0;000) | ✗ | 02/02/17 |
NaLi3(H2N)4 | ICSD | 201148 | I-4 (82) | ✗ | 16 | 46 | 1 | 3.1757 | 3.289 | 0.000 | (0;000) | ✗ | 15/02/17 |
Y3Pt | ICSD | 8016 | Pnma (62) | ✔ | 16 | 172 | 3 | 0.0 | 0.000 | 0.309 | (0;110) | ✗ | 02/02/17 |
SrH4O3 | ICSD | 15366 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 4.5819 | 4.590 | 0.000 | (0;000) | ✗ | 15/02/17 |
H3N | ICSD | 29321 | P2_13 (198) | ✗ | 16 | 32 | 1 | 3.6115 | 3.612 | 0.000 | (0;000) | ✗ | 15/02/17 |
GaBr3 | ICSD | 413456 | P2_1/c (14) | ✔ | 16 | 136 | 1 | 3.2077 | 3.208 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdAg2GeS4 | ICSD | 152753 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.5754 | 0.575 | 0.000 | (0;000) | ✗ | 16/03/17 |
ZnSi(AgO2)2 | ICSD | 81327 | Pc (7) | ✗ | 16 | 124 | 3 | 0.5309 | 0.677 | 0.000 | (0;000) | ✗ | 16/03/17 |
AsBr3 | COD | 1010147 | P2_12_12_1 (19) | ✗ | 16 | 104 | 1 | 2.8654 | 2.924 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ba3Y4O9 | ICSD | 87118 | R3 (146) | ✗ | 16 | 128 | 3 | 3.2201 | 3.222 | 0.000 | (0;000) | ✗ | 21/03/17 |
CdHgAsBr | ICSD | 240354 | Pmma (51) | ✔ | 16 | 144 | 3 | 0.6512 | 0.918 | 0.000 | (0;000) | ✗ | 21/03/17 |
ZnSi(AgS2)2 | ICSD | 183705 | Pc (7) | ✗ | 16 | 124 | 3 | 1.766 | 1.864 | 0.000 | (0;000) | ✗ | 16/03/17 |
Ag3AsS4 | COD | 1509825 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.619 | 0.619 | 0.000 | (0;000) | ✗ | 16/03/17 |
BaCdO2 | ICSD | 25555 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.0459 | 1.070 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCdS2 | ICSD | 66655 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.8142 | 1.814 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li3PO4 | COD | 9012500 | Pmn2_1 (31) | ✗ | 16 | 76 | 1 | 6.1067 | 6.197 | 0.000 | (0;000) | ✗ | 15/02/17 |
Ta2NiS5 | ICSD | 61147 | Cmcm (63) | ✔ | 16 | 132 | 2 | 0.0 | 0.006 | 0.090 | (0;000) | ✗ | 02/02/17 |
Ga3Co | COD | 1525237 | P4_2/mnm (136) | ✔ | 16 | 224 | 3 | 0.0 | 0.005 | 0.289 | (1;000) | ✗ | 02/02/17 |
NiSb3 | ICSD | 190327 | Im3 (204) | ✔ | 16 | 100 | 3 | 0.0 | 0.000 | 0.840 | (1;111) | ✗ | 02/02/17 |
LiInS2 | COD | 1508502 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 2.3606 | 2.361 | 0.000 | (0;000) | ✗ | 29/03/17 |
LiInSe2 | ICSD | 639900 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 1.9573 | 1.958 | 0.000 | (0;000) | ✗ | 29/03/17 |
ICl | ICSD | 26032 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.0 | 0.196 | 0.034 | (0;000) | ✗ | 02/02/17 |
BaCu4S3 | COD | 1527568 | Cmcm (63) | ✔ | 16 | 144 | 1 | 0.3901 | 0.626 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2MgIr | ICSD | 180119 | P-43m (215) | ✗ | 16 | 132 | 3 | 0.0 | 0.000 | 0.843 | ? | ✗ | 29/03/17 |
P3Ir | ICSD | 23713 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.1726 | 0.481 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiPd3 | ICSD | 43702 | Pnma (62) | ✔ | 16 | 232 | 3 | 0.0 | 0.036 | 0.113 | (0;000) | ✗ | 02/02/17 |
TaNiTe2 | ICSD | 71063 | Pmna (53) | ✔ | 16 | 140 | 2 | 0.0 | 0.033 | 0.232 | (1;010) | ✗ | 02/02/17 |
Ta2NiSe5 | ICSD | 61148 | C2/c (15) | ✔ | 16 | 132 | 2 | 0.0 | 0.016 | 0.014 | (1;000) | ✗ | 02/02/17 |
Y3Ni | ICSD | 658309 | Pnma (62) | ✔ | 16 | 172 | 3 | 0.0 | 0.000 | 0.246 | (0;110) | ✗ | 02/02/17 |
CsCoO2 | ICSD | 424937 | Cmce (64) | ✔ | 16 | 152 | 3 | 0.0 | 0.008 | 0.657 | (0;110) | ✗ | 02/02/17 |