▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rb2TeSe4 | ICSD | 650055 | C2/m (12) | ✔ | 7 | 48 | 1 | 0.3592 | 0.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
KLiBeF4 | ICSD | 2939 | P6_3 (173) | ✗ | 14 | 88 | 1 | 6.9444 | 7.012 | 0.000 | (0;000) | ✗ | 15/02/17 |
MoO3 | COD | 9014987 | Pnma (62) | ✔ | 16 | 128 | 2 | 2.2396 | 3.008 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuBr | COD | 9008864 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.393 | 0.393 | 0.000 | (0;000) | ✔ | 15/02/17 |
Sr2GeS4 | ICSD | 23420 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 2.4357 | 2.493 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbSeI | COD | 1008204 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.2091 | 1.322 | 0.000 | (0;000) | ✗ | 02/02/17 |
KCaCO3F | COD | 2203515 | P-6m2 (187) | ✗ | 7 | 48 | 1 | 4.4344 | 4.439 | 0.000 | (0;000) | ✗ | 15/02/17 |
KLiSO4 | ICSD | 36038 | P6_3 (173) | ✗ | 14 | 84 | 1 | 5.5615 | 5.633 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cd2Os(CN)6 | ICSD | 417821 | P-3 (147) | ✔ | 15 | 94 | 3 | 1.8382 | 1.838 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2PbO2 | ICSD | 2267 | P-1 (2) | ✔ | 20 | 176 | 3 | 0.0923 | 0.200 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2InGaO5 | ICSD | 248616 | Ima2 (46) | ✗ | 18 | 152 | 3 | 1.595 | 1.595 | 0.000 | (0;000) | ✗ | 21/03/17 |
SrSeO3 | ICSD | 419386 | Pnma (62) | ✔ | 20 | 136 | 1 | 4.0455 | 4.122 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnSiAs2 | ICSD | 611417 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.0819 | 1.082 | 0.000 | (0;000) | ✗ | 15/02/17 |
K4HgP2 | ICSD | 67263 | R-3m (166) | ✔ | 7 | 58 | 1 | 1.021 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2TiCl6 | COD | 1010193 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 2.2001 | 2.243 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2Te3 | ICSD | 410895 | C2/c (15) | ✔ | 10 | 88 | 3 | 0.4198 | 0.587 | 0.000 | (0;000) | ✗ | 02/02/17 |
CSCl2O | COD | 7050458 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 3.0161 | 3.088 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2PbCl6 | COD | 1010241 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.5379 | 1.538 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2NbCuSe4 | ICSD | 73324 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.6201 | 1.793 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaAl2B2O7 | ICSD | 409171 | R32 (155) | ✗ | 12 | 64 | 2 | 4.8336 | 4.843 | 0.000 | (0;000) | ✗ | 15/02/17 |
Rb3Na(MoO4)2 | ICSD | 191958 | P-3m1 (164) | ✔ | 14 | 112 | 1 | 4.7708 | 4.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Te5 | ICSD | 36017 | Cmcm (63) | ✔ | 14 | 96 | 1 | 0.2901 | 0.290 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2TaInO6 | ICSD | 188417 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 4.2964 | 4.316 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaTeH6O6F | ICSD | 42 | R3 (146) | ✗ | 15 | 64 | 1 | 3.6488 | 3.725 | 0.000 | (0;000) | ✗ | 15/02/17 |
PdSe2O5 | COD | 4333284 | C2/c (15) | ✔ | 16 | 120 | 2 | 1.0614 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr(HO)2 | ICSD | 15167 | Pnma (62) | ✔ | 20 | 96 | 1 | 3.9041 | 4.028 | 0.000 | (0;000) | ✗ | 02/02/17 |
HPbIO | ICSD | 192169 | Pnma (62) | ✔ | 16 | 112 | 3 | 2.3146 | 2.398 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaScAs2O7 | ICSD | 161501 | C2 (5) | ✗ | 11 | 72 | 3 | 4.1616 | 4.227 | 0.000 | (0;000) | ✗ | 15/02/17 |
P4Ru | ICSD | 2492 | P-1 (2) | ✔ | 15 | 108 | 2 | 1.2877 | 1.485 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs6AlSb3 | ICSD | 300128 | P2_1/m (11) | ✔ | 20 | 144 | 1 | 0.8041 | 0.922 | 0.000 | (0;000) | ✗ | 16/03/17 |
BH6N | ICSD | 181422 | Cmc2_1 (36) | ✗ | 16 | 28 | 1 | 6.5504 | 6.904 | 0.000 | (0;000) | ✗ | 15/02/17 |
InRhO3 | ICSD | 237351 | Pnma (62) | ✔ | 20 | 192 | 3 | 0.3662 | 0.493 | 0.000 | (0;000) | ✗ | 02/02/17 |
BAsO4 | ICSD | 413436 | P3_121 (152) | ✗ | 18 | 96 | 3 | 4.7353 | 4.824 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cs2Se | ICSD | 627099 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.0773 | 2.077 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sn2SbS2I3 | ICSD | 23344 | Cmcm (63) | ✔ | 16 | 132 | 2 | 0.3236 | 0.363 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaMgH3 | COD | 1525701 | Pnma (62) | ✔ | 20 | 88 | 1 | 3.2476 | 3.320 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ga2PbSe4 | ICSD | 635052 | Cccm (66) | ✔ | 14 | 128 | 3 | 1.4183 | 1.490 | 0.000 | (0;000) | ✗ | 02/02/17 |
GePbS3 | ICSD | 2090 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 1.8361 | 1.931 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrI2 | ICSD | 26418 | P2_1/m (11) | ✔ | 12 | 72 | 2 | 0.2968 | 0.407 | 0.000 | (0;000) | ✗ | 02/02/17 |
H4NF | COD | 2106401 | P6_3mc (186) | ✗ | 12 | 32 | 1 | 5.8885 | 5.974 | 0.000 | (0;000) | ✗ | 15/02/17 |
NaInTe2 | ICSD | 25346 | I4/mcm (140) | ✔ | 8 | 68 | 1 | 0.7113 | 0.926 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsNb(PO4)2 | ICSD | 88870 | C2/m (12) | ✔ | 12 | 80 | 2 | 2.9869 | 3.070 | 0.000 | (0;000) | ✗ | 02/02/17 |
Os(SCl6)2 | ICSD | 74680 | R-3m (166) | ✔ | 15 | 112 | 1 | 0.386 | 0.445 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2P3 | ICSD | 654296 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.7411 | 0.741 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cd4BiB3O10 | ICSD | 248027 | Cm (8) | ✗ | 18 | 132 | 3 | 2.1919 | 2.665 | 0.000 | (0;000) | ✗ | 21/03/17 |
FePb2(CN)6 | ICSD | 51493 | P-3 (147) | ✔ | 15 | 90 | 3 | 2.5974 | 2.672 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrZnO2 | ICSD | 15913 | Pnma (62) | ✔ | 16 | 136 | 3 | 2.1685 | 2.169 | 0.000 | (0;000) | ✗ | 02/02/17 |
S3(NO)2 | COD | 7221393 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.241 | 1.348 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScNiBi | ICSD | 58824 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.1651 | 0.846 | 0.000 | (0;000) | ✔ | 15/02/17 |
CuCl | COD | 9008865 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.3692 | 0.369 | 0.000 | (0;000) | ✔ | 15/02/17 |