▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Na4TeO5 | COD | 1530933 | P-1 (2) | ✔ | 20 | 144 | 1 | 2.3788 | 2.498 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3(AlN2)2 | COD | 4321679 | C2/c (15) | ✔ | 18 | 112 | 2 | 2.5001 | 2.500 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsAgCl2 | ICSD | 150300 | P4/nmm (129) | ✔ | 8 | 68 | 2 | 2.2043 | 2.501 | 0.000 | (0;000) | ✗ | 30/01/17 |
Zn(GaS2)2 | ICSD | 635295 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.5013 | 2.501 | 0.000 | (0;000) | ✗ | 06/10/16 |
PAuCl4 | COD | 1510095 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 2.4563 | 2.502 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2GeO3 | ICSD | 16833 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 2.3556 | 2.502 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsPbBr3 | ICSD | 28312 | Pnma (62) | ✔ | 20 | 176 | 2 | 2.4002 | 2.502 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4Na(BN2)3 | ICSD | 401210 | Im-3m (229) | ✔ | 14 | 88 | 1 | 2.0643 | 2.504 | 0.000 | (0;000) | ✗ | 02/02/17 |
TeO2 | ICSD | 166847 | P2_1/m (11) | ✔ | 12 | 72 | 3 | 2.4449 | 2.506 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb2TaCuS4 | ICSD | 414271 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.3711 | 2.508 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2O2 | COD | 9008989 | Cmce (64) | ✔ | 8 | 60 | 1 | 2.4198 | 2.510 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2B(CN)3 | ICSD | 262588 | Fdd2 (43) | ✗ | 18 | 96 | 1 | 2.5094 | 2.511 | 0.000 | (0;000) | ✗ | 21/03/17 |
SnC2(SN)2 | ICSD | 201193 | P-1 (2) | ✔ | 14 | 88 | 1 | 2.4482 | 2.511 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zn(GaS2)2 | ICSD | 635306 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.5119 | 2.512 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaAsO4 | ICSD | 423937 | C222_1 (20) | ✗ | 12 | 84 | 3 | 2.5122 | 2.512 | 0.000 | (0;000) | ✗ | 06/10/16 |
Tl3VO4 | ICSD | 80667 | Imm2 (44) | ✗ | 8 | 76 | 3 | 2.6853 | 2.512 | 1.000 | (0;000) | ✗ | 06/10/16 |
Ca3Ti2O7 | ICSD | 63705 | Cmc2_1 (36) | ✗ | 24 | 192 | 2 | 2.5075 | 2.512 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaTe3O8 | COD | 9000671 | C2/c (15) | ✔ | 24 | 152 | 3 | 2.4307 | 2.514 | 0.000 | (0;000) | ✗ | 04/08/17 |
KSb4F13 | COD | 5910285 | I4/m (87) | ✔ | 18 | 120 | 1 | 0.0 | 2.514 | 1.000 | (0;000) | ✗ | 22/03/17 |
TaNO | COD | 1528855 | C2/m (12) | ✔ | 12 | 96 | 3 | 2.3632 | 2.515 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ti4Bi2O11 | COD | 2101260 | C2/m (12) | ✔ | 17 | 144 | 3 | 2.0813 | 2.516 | 0.000 | (0;000) | ✗ | 21/03/17 |
K3VCO8 | ICSD | 60813 | Cm (8) | ✗ | 13 | 92 | 1 | 2.4487 | 2.516 | 0.000 | (0;000) | ✗ | 15/02/17 |
BI3 | ICSD | 173375 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 2.4262 | 2.516 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgO | ICSD | 166273 | P-6m2 (187) | ✗ | 2 | 16 | 3 | 2.2858 | 2.517 | 0.000 | (0;000) | ✗ | 06/10/16 |
BI3 | COD | 1511187 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 2.4263 | 2.517 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2PtF6 | COD | 2239770 | P4_2/mnm (136) | ✔ | 18 | 116 | 1 | 2.4866 | 2.518 | 0.000 | (0;000) | ✗ | 27/01/17 |
Si | COD | 9013107 | Fd-3m (227) | ✔ | 2 | 8 | 3 | 0.5742 | 2.519 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsI | COD | 9016261 | Pnma (62) | ✔ | 8 | 64 | 1 | 2.5201 | 2.520 | 0.000 | (0;000) | ✗ | 02/02/17 |
F2 | COD | 9012471 | C2/m (12) | ✔ | 2 | 14 | 1 | 2.5205 | 2.521 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaGeSbO5 | ICSD | 39646 | C2/c (15) | ✔ | 16 | 96 | 3 | 2.5211 | 2.521 | 0.000 | (0;000) | ✗ | 22/03/17 |
K2TaAgS4 | ICSD | 84294 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.5212 | 2.523 | 0.000 | (0;000) | ✗ | 30/01/17 |
AgCl | ICSD | 56541 | P2_1/m (11) | ✔ | 4 | 36 | 3 | 0.6845 | 2.523 | 0.000 | (0;000) | ✗ | 06/10/16 |
TlGaI4 | ICSD | 419824 | P2_1/c (14) | ✔ | 24 | 216 | 1 | 2.4465 | 2.523 | 0.000 | (0;000) | ✗ | 04/08/17 |
TiO2 | COD | 2310486 | Pbcn (60) | ✔ | 12 | 96 | 3 | 2.5234 | 2.523 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgBr | COD | 1011061 | I4/mmm (139) | ✔ | 4 | 38 | 1 | 2.4091 | 2.524 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2PdF6 | ICSD | 28674 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 2.4653 | 2.524 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li(CO)2 | ICSD | 154354 | C2/m (12) | ✔ | 10 | 46 | 1 | 2.1698 | 2.525 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgIO4 | COD | 1509390 | I4_1/a (88) | ✔ | 12 | 84 | 3 | 2.4042 | 2.526 | 0.000 | (0;000) | ✗ | 16/03/17 |
Na3AgS2 | COD | 1509476 | Ibam (72) | ✔ | 12 | 100 | 1 | 2.2573 | 2.527 | 0.000 | (0;000) | ✗ | 30/01/17 |
Rb2S | COD | 9009068 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 2.1158 | 2.527 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaTiO3 | ICSD | 73637 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.1946 | 2.529 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2Mo(SO)2 | ICSD | 423982 | C2/c (15) | ✔ | 14 | 112 | 1 | 2.3707 | 2.532 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ga3BN4 | ICSD | 187048 | P-43m (215) | ✗ | 8 | 62 | 3 | 2.5318 | 2.532 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiCdBO3 | ICSD | 20191 | P-6 (174) | ✗ | 18 | 108 | 3 | 2.2699 | 2.533 | 0.000 | (0;000) | ✗ | 15/02/17 |
GeBi2O5 | COD | 1526265 | Cmc2_1 (36) | ✗ | 16 | 128 | 3 | 2.4247 | 2.535 | 0.000 | (0;000) | ✗ | 21/03/17 |
TlCl2 | ICSD | 4031 | I4_1/a (88) | ✔ | 12 | 108 | 1 | 2.4354 | 2.536 | 0.000 | (0;000) | ✗ | 02/02/17 |
BrF3 | ICSD | 31689 | Ccm2_1 (36) | ✗ | 8 | 56 | 1 | 2.3987 | 2.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cd2As2O7 | COD | 9007896 | C2/m (12) | ✔ | 11 | 76 | 3 | 2.0721 | 2.542 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2Li3TaN4 | ICSD | 75031 | C2/c (15) | ✔ | 20 | 124 | 1 | 2.4459 | 2.543 | 0.000 | (0;000) | ✗ | 02/02/17 |
CSeN | COD | 4300548 | P2_12_12_1 (19) | ✗ | 24 | 120 | 1 | 2.4712 | 2.543 | 0.000 | (0;000) | ✗ | 04/08/17 |
VBiO4 | COD | 9011741 | I4_1/amd (141) | ✔ | 12 | 104 | 3 | 2.5386 | 2.543 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaClO2 | ICSD | 22 | C2/c (15) | ✔ | 8 | 56 | 1 | 2.5433 | 2.543 | 0.000 | (0;000) | ✗ | 27/01/17 |
V2Pb3O8 | ICSD | 29359 | C2 (5) | ✗ | 13 | 116 | 3 | 2.3727 | 2.545 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiSbO3 | COD | 1000141 | Pnna (52) | ✔ | 20 | 104 | 3 | 2.5446 | 2.545 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3GaO3 | ICSD | 2270 | C2/m (12) | ✔ | 14 | 116 | 3 | 2.5449 | 2.545 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2H3I | ICSD | 423520 | P-3m1 (164) | ✔ | 6 | 30 | 1 | 2.5457 | 2.546 | 0.000 | (0;000) | ✗ | 21/03/17 |
KV3O8 | ICSD | 29075 | P2_1/m (11) | ✔ | 24 | 192 | 2 | 2.4896 | 2.547 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2CdGeO4 | ICSD | 20031 | Pmn2_1 (31) | ✗ | 16 | 92 | 3 | 2.3043 | 2.548 | 0.000 | (0;000) | ✗ | 15/02/17 |
CdMoO4 | COD | 1001800 | I4_1/a (88) | ✔ | 12 | 100 | 3 | 2.5086 | 2.554 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgSeO4 | ICSD | 109070 | Cmcm (63) | ✔ | 12 | 80 | 3 | 2.4843 | 2.555 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrTe3O8 | COD | 2213325 | P4_2/m (84) | ✔ | 24 | 152 | 3 | 2.4893 | 2.556 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiAuF6 | ICSD | 165209 | R-3 (148) | ✔ | 8 | 56 | 1 | 2.5517 | 2.557 | 0.000 | (0;000) | ✗ | 05/01/17 |
InPS4 | ICSD | 1699 | I-4 (82) | ✗ | 6 | 42 | 3 | 2.4577 | 2.557 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca2SiO4 | ICSD | 182054 | P6_3mc (186) | ✗ | 14 | 96 | 1 | 2.5583 | 2.558 | 0.000 | (0;000) | ✗ | 15/02/17 |
NbCl4F | ICSD | 26155 | P-1 (2) | ✔ | 24 | 192 | 1 | 2.5534 | 2.559 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ga4SnS7 | COD | 4001920 | Pc (7) | ✗ | 24 | 216 | 3 | 2.3502 | 2.560 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrSnO3 | ICSD | 27047 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 1.766 | 2.562 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgBr | COD | 9014145 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.8884 | 2.563 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na3Ag3W2(OF)6 | ICSD | 262534 | R-3 (148) | ✔ | 20 | 194 | 1 | 2.4158 | 2.564 | 0.000 | (0;000) | ✗ | 11/04/17 |
TlSbF6 | ICSD | 36264 | R-3m (166) | ✔ | 8 | 60 | 1 | 2.3033 | 2.565 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbPb2Br5 | COD | 1010211 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 2.4547 | 2.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdCN2 | COD | 7222161 | R-3m (166) | ✔ | 4 | 26 | 3 | 2.4076 | 2.566 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y3TaO7 | COD | 1525169 | C222_1 (20) | ✗ | 22 | 176 | 3 | 2.5659 | 2.566 | 0.000 | (0;000) | ✗ | 07/08/17 |
Cl2 | COD | 9013120 | Cmce (64) | ✔ | 4 | 28 | 1 | 2.5394 | 2.567 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba(TeO3)2 | ICSD | 8017 | Cmcm (63) | ✔ | 18 | 116 | 2 | 2.1918 | 2.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiO2 | ICSD | 75179 | Pnma (62) | ✔ | 12 | 96 | 3 | 2.5159 | 2.569 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaTiO3 | ICSD | 100463 | R3m (160) | ✗ | 5 | 40 | 3 | 2.2876 | 2.569 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 100464 | R3m (160) | ✗ | 5 | 40 | 3 | 2.2876 | 2.569 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaV(OF)2 | COD | 1000373 | P2_1 (4) | ✗ | 12 | 96 | 1 | 2.0236 | 2.570 | 0.000 | (0;000) | ✗ | 15/02/17 |
SrHgO2 | ICSD | 69739 | P3_2 (145) | ✗ | 12 | 102 | 2 | 2.4955 | 2.570 | 0.000 | (0;000) | ✗ | 06/10/16 |
V2Pb3O8 | ICSD | 69800 | C2 (5) | ✗ | 13 | 116 | 3 | 2.5077 | 2.573 | 0.000 | (0;000) | ✗ | 06/10/16 |
C2S2O | COD | 2008373 | P2_1/c (14) | ✔ | 20 | 104 | 2 | 2.5413 | 2.574 | 0.000 | (0;000) | ✗ | 02/02/17 |
AsS2NF6 | ICSD | 62120 | C2/m (12) | ✔ | 10 | 64 | 1 | 2.5737 | 2.574 | 0.000 | (0;000) | ✗ | 05/01/17 |
SnH8(NCl3)2 | COD | 9013381 | Fm-3m (225) | ✔ | 17 | 74 | 1 | 2.5738 | 2.574 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3ReC4(N2O)2 | ICSD | 16121 | P-1 (2) | ✔ | 14 | 90 | 1 | 2.574 | 2.574 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na5TaO5 | ICSD | 72297 | C2/c (15) | ✔ | 22 | 176 | 1 | 2.5752 | 2.575 | 0.000 | (0;000) | ✗ | 07/08/17 |
C3N4 | ICSD | 83264 | P-43m (215) | ✗ | 7 | 32 | 3 | 2.5786 | 2.579 | 0.000 | (0;000) | ✗ | 06/10/16 |
KNO2 | ICSD | 86117 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 2.4941 | 2.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2S | COD | 1011375 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 2.3821 | 2.580 | 0.000 | (0;000) | ✗ | 27/01/17 |
KC4N3 | ICSD | 77046 | P-1 (2) | ✔ | 16 | 80 | 1 | 2.5789 | 2.580 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg3Si2(H2O3)3 | COD | 9001778 | P31m (157) | ✗ | 20 | 98 | 2 | 1.899 | 2.582 | 0.000 | (0;000) | ✗ | 15/02/17 |
K2SrTa2O7 | ICSD | 93492 | I4/mmm (139) | ✔ | 12 | 96 | 1 | 2.1211 | 2.584 | 0.000 | (0;000) | ✗ | 29/03/17 |
KGaI4 | ICSD | 400816 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 2.5195 | 2.585 | 0.000 | (0;000) | ✗ | 04/08/17 |
AlCuCl4 | COD | 4322713 | Pna2_1 (33) | ✗ | 24 | 168 | 3 | 2.5852 | 2.585 | 0.000 | (0;000) | ✗ | 04/08/17 |
SbN9 | COD | 7106121 | P-1 (2) | ✔ | 20 | 100 | 1 | 2.5331 | 2.586 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgH3BrN | COD | 7103195 | P2_1/m (11) | ✔ | 12 | 52 | 2 | 2.3806 | 2.588 | 0.000 | (0;000) | ✗ | 05/01/17 |
SbS2NF6 | ICSD | 170871 | C2/m (12) | ✔ | 10 | 64 | 1 | 2.5886 | 2.589 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlCO2 | COD | 4308986 | P2_1/c (14) | ✔ | 16 | 116 | 2 | 2.5146 | 2.589 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2InClO3 | ICSD | 81877 | P4/nmm (129) | ✔ | 14 | 116 | 1 | 2.1009 | 2.590 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2TaAgS4 | ICSD | 84295 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.5821 | 2.591 | 0.000 | (0;000) | ✗ | 30/01/17 |