▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TiSnPt | COD | 1522660 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.7164 | 1.396 | 0.000 | (0;000) | ✗ | 15/02/17 |
NbTlBr4O | ICSD | 415203 | C2 (5) | ✗ | 7 | 60 | 1 | 1.1356 | 1.469 | 0.000 | (0;000) | ✗ | 15/02/17 |
CsK2PdF5 | ICSD | 72301 | P4/mbm (127) | ✔ | 18 | 160 | 2 | 2.2574 | 2.261 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Cd2O3 | COD | 1528164 | P2_1/c (14) | ✔ | 14 | 120 | 3 | 0.7106 | 0.711 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3GeH2NO3 | ICSD | 79078 | P-1 (2) | ✔ | 20 | 112 | 1 | 3.4275 | 3.479 | 0.000 | (0;000) | ✗ | 02/02/17 |
YSF | COD | 1521891 | P6_3/mmc (194) | ✔ | 12 | 96 | 3 | 2.5558 | 3.299 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiC | COD | 9011661 | P6_3mc (186) | ✗ | 4 | 16 | 3 | 2.2495 | 3.971 | 0.000 | (0;000) | ✗ | 15/02/17 |
RbYTe2 | ICSD | 419996 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 0.923 | 1.605 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Ni3S4 | COD | 1005023 | Fddd (70) | ✔ | 18 | 144 | 1 | 0.7316 | 0.855 | 0.000 | (0;000) | ✗ | 02/02/17 |
K4V2O7 | ICSD | 250388 | C2/m (12) | ✔ | 13 | 104 | 1 | 3.7624 | 3.802 | 0.000 | (0;000) | ✗ | 02/02/17 |
KPS3 | ICSD | 33278 | Immm (71) | ✔ | 10 | 64 | 1 | 1.7043 | 1.718 | 0.000 | (0;000) | ✗ | 02/02/17 |
InCu(PSe3)2 | ICSD | 71969 | P-31c (163) | ✔ | 20 | 140 | 2 | 0.3908 | 0.423 | 0.000 | (0;000) | ✗ | 02/02/17 |
GaHO2 | ICSD | 420004 | Pmn2_1 (31) | ✗ | 8 | 52 | 3 | 3.2621 | 3.336 | 0.000 | (0;000) | ✗ | 15/02/17 |
RbVSe2 | ICSD | 415479 | Fddd (70) | ✔ | 16 | 136 | 1 | 0.015 | 0.184 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAsSe2 | ICSD | 68638 | Cc (9) | ✗ | 16 | 104 | 2 | 1.5358 | 1.658 | 0.000 | (0;000) | ✗ | 21/03/17 |
SiO2 | COD | 9006292 | C2/c (15) | ✔ | 12 | 64 | 3 | 5.7175 | 5.979 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2S | COD | 2106220 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.6588 | 2.659 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaAlBO3F2 | ICSD | 421141 | P-62c (190) | ✗ | 16 | 96 | 2 | 6.3966 | 6.552 | 0.000 | (0;000) | ✗ | 15/02/17 |
K4Ru2Cl10O | ICSD | 8054 | I4/mmm (139) | ✔ | 17 | 144 | 1 | 0.4691 | 0.477 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAg2PS4 | ICSD | 420033 | I-42m (121) | ✗ | 8 | 60 | 3 | 1.0995 | 1.796 | 0.000 | (0;000) | ✗ | 16/03/17 |
TlSbS2 | COD | 9007704 | P-1 (2) | ✔ | 16 | 120 | 3 | 1.3814 | 1.381 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNO3 | ICSD | 85491 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.5677 | 3.595 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na4PbO4 | ICSD | 74859 | P-1 (2) | ✔ | 18 | 148 | 1 | 1.5361 | 1.536 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na4GeO4 | ICSD | 61496 | P-1 (2) | ✔ | 18 | 128 | 1 | 3.0167 | 3.101 | 0.000 | (0;000) | ✗ | 02/02/17 |
K5InPb8 | ICSD | 152384 | R-3m (166) | ✔ | 14 | 170 | 3 | 0.1468 | 0.186 | 0.000 | (0;000) | ✗ | 02/02/17 |
KTe | ICSD | 73174 | P6_3/mmc (194) | ✔ | 8 | 60 | 1 | 0.4835 | 0.484 | 0.000 | (0;000) | ✗ | 02/02/17 |
KY2CuS4 | ICSD | 97557 | Cmcm (63) | ✔ | 16 | 132 | 3 | 0.986 | 1.095 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnSi(AgO2)2 | ICSD | 81327 | Pc (7) | ✗ | 16 | 124 | 3 | 0.5309 | 0.677 | 0.000 | (0;000) | ✗ | 16/03/17 |
KP(HO2)2 | COD | 1010458 | I-42d (122) | ✗ | 16 | 80 | 3 | 5.5574 | 5.568 | 0.000 | (0;000) | ✗ | 15/02/17 |
H4NClO2 | COD | 2205376 | P-42_1m (113) | ✗ | 16 | 56 | 1 | 2.8507 | 2.901 | 0.000 | (0;000) | ✗ | 15/02/17 |
TlClO4 | COD | 1010570 | F-43m (216) | ✗ | 6 | 44 | 1 | 1.3448 | 1.345 | 0.000 | (0;000) | ✗ | 15/02/17 |
Mg3P2 | COD | 1011277 | Pn-3m (224) | ✔ | 10 | 80 | 1 | 1.0541 | 1.179 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrBe3O4 | ICSD | 26179 | P-62c (190) | ✗ | 16 | 92 | 1 | 4.1894 | 4.189 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cd3(ClO)2 | ICSD | 300028 | P2_1/c (14) | ✔ | 14 | 124 | 3 | 1.2957 | 1.430 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiGeBO4 | ICSD | 28106 | Fmm2 (42) | ✗ | 7 | 34 | 3 | 1.2123 | 1.489 | 0.000 | (0;000) | ✗ | 15/02/17 |
Sr2YSbO6 | ICSD | 154033 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 4.0722 | 4.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2ZnO2 | ICSD | 404761 | P2_1/c (14) | ✔ | 20 | 168 | 2 | 1.5299 | 1.530 | 0.000 | (0;000) | ✗ | 02/02/17 |
H3I3N2 | ICSD | 27416 | P2_1/m (11) | ✔ | 16 | 68 | 3 | 0.8803 | 1.057 | 0.000 | (0;000) | ✗ | 02/02/17 |
S | COD | 9012364 | C2/c (15) | ✔ | 20 | 120 | 1 | 1.9556 | 2.174 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsNaSe | ICSD | 41322 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.1205 | 2.274 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca(InP)2 | COD | 2017323 | P6_3/mmc (194) | ✔ | 10 | 92 | 2 | 0.5469 | 0.684 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y6TeO12 | ICSD | 247820 | R-3 (148) | ✔ | 19 | 144 | 3 | 3.0556 | 3.192 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgC2(SeN)2 | ICSD | 85760 | P2_1/c (14) | ✔ | 14 | 84 | 2 | 2.326 | 2.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlCu3S2 | ICSD | 23290 | C2/m (12) | ✔ | 12 | 116 | 2 | 0.2949 | 0.429 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrZrS3 | ICSD | 154103 | Pnma (62) | ✔ | 20 | 128 | 2 | 0.3824 | 0.382 | 0.000 | (0;000) | ✗ | 02/02/17 |
KSbS2 | ICSD | 641324 | C2/c (15) | ✔ | 8 | 52 | 1 | 1.4975 | 1.501 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaMg(SiO3)2 | COD | 9000506 | C2/c (15) | ✔ | 20 | 128 | 3 | 3.7875 | 3.788 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2PtI6 | ICSD | 37191 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 0.2675 | 0.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
KSrCO3F | ICSD | 262231 | P-6m2 (187) | ✗ | 7 | 48 | 1 | 4.1919 | 4.195 | 0.000 | (0;000) | ✗ | 15/02/17 |
Sr2SnO4 | ICSD | 150385 | Cmce (64) | ✔ | 14 | 116 | 2 | 2.9875 | 3.009 | 0.000 | (0;000) | ✗ | 02/02/17 |
PI2 | COD | 2004493 | P-1 (2) | ✔ | 6 | 38 | 1 | 1.551 | 1.551 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2ZnWO6 | ICSD | 190595 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 2.9052 | 3.041 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2NbCuS4 | ICSD | 84304 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.0266 | 2.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc2CdS4 | ICSD | 94994 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.8989 | 0.899 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2CdGeO4 | ICSD | 20031 | Pmn2_1 (31) | ✗ | 16 | 92 | 3 | 2.3043 | 2.548 | 0.000 | (0;000) | ✗ | 15/02/17 |
K2NaInP2 | ICSD | 300132 | Ibam (72) | ✔ | 12 | 100 | 1 | 1.1336 | 1.138 | 0.000 | (0;000) | ✗ | 02/02/17 |
KBC3N3F | ICSD | 412871 | P-1 (2) | ✔ | 18 | 92 | 1 | 5.968 | 6.072 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiSeBr | ICSD | 76649 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.595 | 0.788 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaHI | COD | 9009160 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.2911 | 2.291 | 0.000 | (0;000) | ✗ | 21/03/17 |
K4P2PdS8 | ICSD | 165312 | P-1 (2) | ✔ | 15 | 112 | 1 | 1.7253 | 1.731 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbPbI3 | ICSD | 161482 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8148 | 1.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
S2NO | ICSD | 410547 | P-1 (2) | ✔ | 16 | 92 | 1 | 2.1152 | 2.481 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlVO3 | ICSD | 6108 | Pbcm (57) | ✔ | 20 | 176 | 1 | 3.2002 | 3.200 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4Hf3S10 | ICSD | 602359 | I4/mmm (139) | ✔ | 17 | 136 | 2 | 0.4422 | 0.854 | 0.000 | (0;000) | ✗ | 21/03/17 |
TlPt2S3 | ICSD | 78784 | P-3m1 (164) | ✔ | 12 | 102 | 2 | 0.7331 | 0.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2Sn2S5 | COD | 7221342 | C2/c (15) | ✔ | 18 | 168 | 3 | 1.4213 | 1.473 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Mo(SO)2 | ICSD | 423992 | C2/c (15) | ✔ | 14 | 112 | 1 | 2.2015 | 2.383 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | COD | 9006303 | P1 (1) | ✗ | 12 | 64 | 3 | 4.5774 | 4.577 | 0.000 | (0;000) | ✗ | 15/02/17 |
TaCuS3 | ICSD | 62537 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.4313 | 0.442 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaTl3(SO3)2 | ICSD | 1626 | P-3m1 (164) | ✔ | 12 | 96 | 1 | 3.0547 | 3.215 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | COD | 4124073 | R-3m (166) | ✔ | 18 | 96 | 3 | 4.1075 | 4.108 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Li2SiO4 | ICSD | 61086 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.1321 | 4.216 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2LiSiO4F | ICSD | 79805 | P2_1/m (11) | ✔ | 18 | 116 | 1 | 4.9851 | 5.080 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnHgC4(SeN)4 | ICSD | 188764 | I-4 (82) | ✗ | 14 | 84 | 3 | 2.4413 | 2.735 | 0.000 | (0;000) | ✗ | 21/03/17 |
VBiPbO5 | ICSD | 56791 | P-1 (2) | ✔ | 16 | 144 | 3 | 2.2379 | 2.437 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaTe4I | ICSD | 67533 | P-1 (2) | ✔ | 12 | 88 | 3 | 0.2937 | 0.407 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbSO3 | ICSD | 35360 | Pnma (62) | ✔ | 20 | 152 | 3 | 3.1187 | 3.119 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrCoBi | ICSD | 107120 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.9493 | 1.553 | 0.000 | (0;000) | ✗ | 15/02/17 |
P2O3 | ICSD | 62026 | P2_1/m (11) | ✔ | 20 | 112 | 1 | 3.7642 | 3.787 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgN3 | ICSD | 426345 | P2_1/c (14) | ✔ | 16 | 108 | 3 | 2.4188 | 2.423 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | COD | 4124043 | P6_3/mmc (194) | ✔ | 18 | 96 | 3 | 5.6426 | 5.643 | 0.000 | (0;000) | ✗ | 02/02/17 |
SeS2(NO)2 | ICSD | 69978 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.8532 | 1.897 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | COD | 9006307 | P1 (1) | ✗ | 12 | 64 | 3 | 0.856 | 0.909 | 0.000 | (0;000) | ✗ | 15/02/17 |
KCO3 | COD | 9010292 | P2_1/c (14) | ✔ | 20 | 124 | 1 | 0.4508 | 0.493 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaGaTe2 | ICSD | 44702 | I4/mcm (140) | ✔ | 8 | 68 | 1 | 0.1829 | 0.394 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2S2O5 | COD | 2310629 | P2_1/m (11) | ✔ | 18 | 120 | 1 | 3.6861 | 3.745 | 0.000 | (0;000) | ✗ | 02/02/17 |
RuSe2 | COD | 9012406 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.4043 | 0.707 | 0.000 | (0;000) | ✗ | 02/02/17 |
HPb2IO2 | ICSD | 192170 | C2/m (12) | ✔ | 12 | 96 | 3 | 1.0933 | 1.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2SnI6 | COD | 4335642 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 0.0894 | 0.089 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2S | COD | 2104952 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.0772 | 2.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2MoO4 | ICSD | 151971 | Fddd (70) | ✔ | 14 | 112 | 1 | 3.8382 | 3.838 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiGaI3 | COD | 1530097 | P2_1/m (11) | ✔ | 20 | 148 | 1 | 2.2566 | 2.316 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbPt2Se3 | ICSD | 69439 | R-3m (166) | ✔ | 12 | 94 | 2 | 0.8141 | 0.814 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbBeH3 | COD | 4343941 | P2_1/c (14) | ✔ | 20 | 64 | 1 | 3.2803 | 3.280 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb(SbSe2)2 | ICSD | 402887 | P-1 (2) | ✔ | 14 | 86 | 3 | 1.0963 | 1.399 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAlSiO4 | COD | 9002252 | P6_3 (173) | ✗ | 14 | 80 | 3 | 4.7175 | 4.777 | 0.000 | (0;000) | ✗ | 16/03/17 |
Na2Si4Cu2O11 | COD | 2217426 | P-1 (2) | ✔ | 19 | 122 | 3 | 0.0598 | 0.108 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2HfI6 | COD | 1530776 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 1.9255 | 1.926 | 0.000 | (0;000) | ✗ | 02/02/17 |
KBiF6 | ICSD | 25025 | P-4c2 (116) | ✗ | 16 | 132 | 3 | 1.1363 | 1.136 | 0.000 | (0;000) | ✗ | 21/03/17 |
B2O3 | COD | 1510796 | P3_121 (152) | ✗ | 15 | 72 | 3 | 6.5637 | 6.789 | 0.000 | (0;000) | ✗ | 15/02/17 |