▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CsPdCl3 | ICSD | 89568 | Ibam (72) | ✔ | 20 | 192 | 1 | 1.4033 | 1.403 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsBr2F | ICSD | 84019 | P4/mmm (123) | ✔ | 4 | 30 | 1 | 1.4039 | 1.404 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2TeI6 | ICSD | 23649 | P2_1/c (14) | ✔ | 18 | 132 | 1 | 1.4052 | 1.537 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnS2 | COD | 9009120 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 1.4075 | 1.942 | 0.000 | (0;000) | ✗ | 27/01/17 |
CrHgO4 | ICSD | 416147 | Cmcm (63) | ✔ | 12 | 100 | 3 | 1.4079 | 1.427 | 0.000 | (0;000) | ✗ | 27/01/17 |
As(IF2)3 | COD | 4343792 | P-1 (2) | ✔ | 20 | 136 | 1 | 1.4081 | 1.434 | 0.000 | (0;000) | ✗ | 30/01/17 |
SbSI | ICSD | 28304 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4081 | 1.570 | 0.000 | (0;000) | ✗ | 06/10/16 |
NO2 | ICSD | 164631 | P2_1/m (11) | ✔ | 12 | 68 | 1 | 1.4082 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
SnSO4 | ICSD | 245907 | P-1 (2) | ✔ | 24 | 176 | 3 | 1.4092 | 1.544 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cr2Ag2O7 | COD | 1007030 | P-1 (2) | ✔ | 22 | 184 | 3 | 1.4107 | 1.484 | 0.000 | (0;000) | ✗ | 07/08/17 |
PbI2 | ICSD | 23763 | P3m1 (156) | ✗ | 21 | 196 | 1 | 1.4109 | 1.411 | 0.000 | (0;000) | ✗ | 07/08/17 |
BeSiN2 | ICSD | 44112 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.4111 | 1.932 | 0.000 | (0;000) | ✗ | 07/10/16 |
KTcO4 | COD | 1501467 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 1.4113 | 0.145 | 1.000 | (0;000) | ✗ | 10/04/17 |
InSbS3 | ICSD | 300207 | Pnma (62) | ✔ | 20 | 144 | 2 | 1.4119 | 1.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaNiF6 | ICSD | 35396 | R-3m (166) | ✔ | 8 | 62 | 1 | 1.4123 | 1.426 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaHfS3 | ICSD | 619354 | Pnma (62) | ✔ | 20 | 160 | 3 | 1.4127 | 1.413 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3BPO3 | ICSD | 402017 | P6_3/mmc (194) | ✔ | 16 | 112 | 1 | 1.4131 | 1.767 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Pd3S4 | ICSD | 26250 | C2/m (12) | ✔ | 9 | 96 | 1 | 1.4138 | 1.552 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb(SBr)2 | ICSD | 424413 | P-1 (2) | ✔ | 10 | 78 | 2 | 1.4142 | 1.475 | 0.000 | (0;000) | ✗ | 02/02/17 |
Si3N4 | COD | 1524456 | P6_3 (173) | ✗ | 14 | 64 | 3 | 1.4143 | 1.914 | 0.000 | (0;000) | ✗ | 15/02/17 |
BiSBr | ICSD | 31389 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.4144 | 1.467 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2SnSe3 | COD | 4001782 | Cc (9) | ✗ | 12 | 76 | 1 | 1.4145 | 1.415 | 0.000 | (0;000) | ✗ | 29/03/17 |
Cd(InS2)2 | COD | 9012323 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 1.4147 | 1.507 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2HgPdCl6 | ICSD | 36616 | I4/mmm (139) | ✔ | 10 | 90 | 2 | 1.417 | 1.502 | 0.000 | (0;000) | ✗ | 02/02/17 |
IrBr3 | ICSD | 14212 | C2/m (12) | ✔ | 8 | 60 | 2 | 1.4173 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
S2N | COD | 2101578 | P4_2nm (102) | ✗ | 24 | 136 | 1 | 1.4175 | 1.598 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ga2PbSe4 | ICSD | 635052 | Cccm (66) | ✔ | 14 | 128 | 3 | 1.4183 | 1.490 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnCdS2 | ICSD | 168375 | P-4m2 (115) | ✗ | 4 | 36 | 3 | 1.4199 | 1.420 | 0.000 | (0;000) | ✗ | 07/10/16 |
SbSI | ICSD | 26924 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4207 | 1.565 | 0.000 | (0;000) | ✗ | 06/10/16 |
Tl2Sn2S5 | COD | 7221342 | C2/c (15) | ✔ | 18 | 168 | 3 | 1.4213 | 1.473 | 0.000 | (0;000) | ✗ | 02/02/17 |
H2 | COD | 9013088 | P6_3/mmc (194) | ✔ | 4 | 4 | 1 | 1.4218 | 1.712 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi2O3 | ICSD | 422451 | P6_3mc (186) | ✗ | 20 | 112 | 3 | 1.424 | 1.583 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbI2 | ICSD | 24263 | P6_3mc (186) | ✗ | 6 | 56 | 2 | 1.4242 | 1.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2PdC2 | ICSD | 421490 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 1.4251 | 1.457 | 0.000 | (0;000) | ✗ | 27/01/17 |
C3Cl2O | COD | 7202469 | P2_1/c (14) | ✔ | 24 | 128 | 1 | 1.4252 | 1.472 | 0.000 | (0;000) | ✗ | 04/08/17 |
NbAgO3 | ICSD | 55649 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 1.4258 | 1.496 | 0.000 | (0;000) | ✗ | 05/01/17 |
TiHgO3 | ICSD | 19005 | R-3c (167) | ✔ | 10 | 84 | 3 | 1.4258 | 1.426 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al2ZnSe4 | ICSD | 609325 | Fd-3m (227) | ✔ | 14 | 84 | 3 | 1.4262 | 1.426 | 0.000 | (0;000) | ✗ | 30/01/17 |
CdBiS2Br | ICSD | 171725 | C2/m (12) | ✔ | 10 | 92 | 3 | 1.4263 | 1.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
WCl6 | ICSD | 425148 | P-3m1 (164) | ✔ | 21 | 210 | 1 | 1.4267 | 1.427 | 0.000 | (0;000) | ✗ | 08/08/17 |
PtCCl2O | COD | 2102529 | P4_2/m (84) | ✔ | 20 | 136 | 2 | 1.4271 | 1.435 | 0.000 | (0;000) | ✗ | 02/02/17 |
KS | ICSD | 73171 | P-62m (189) | ✗ | 12 | 90 | 1 | 1.4274 | 1.780 | 0.000 | (0;000) | ✗ | 29/03/17 |
Ba(GaP)2 | COD | 4316404 | P2_1/c (14) | ✔ | 20 | 184 | 1 | 1.428 | 1.428 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ti(CuS)4 | ICSD | 82558 | I-42m (121) | ✗ | 9 | 80 | 3 | 1.4281 | 1.713 | 0.000 | (0;000) | ✗ | 07/10/16 |
TlF | ICSD | 16112 | Pma2 (28) | ✗ | 8 | 80 | 2 | 1.4283 | 1.431 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsI4 | ICSD | 44621 | P2_1/c (14) | ✔ | 20 | 148 | 1 | 1.4286 | 1.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiHgO3 | COD | 1528887 | R-3c (167) | ✔ | 10 | 84 | 3 | 1.4307 | 1.431 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbI2 | ICSD | 23762 | P3m1 (156) | ✗ | 15 | 140 | 1 | 1.4309 | 1.431 | 0.000 | (0;000) | ✗ | 29/03/17 |
AuBr | COD | 1510609 | I4_1/amd (141) | ✔ | 8 | 72 | 3 | 1.431 | 1.431 | 0.000 | (0;000) | ✗ | 30/01/17 |
CdSb6(S2I)4 | ICSD | 27733 | P-1 (2) | ✔ | 19 | 118 | 1 | 1.4312 | 1.431 | 0.000 | (0;000) | ✗ | 02/02/17 |