▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AgClO2 | COD | 2310062 | Cmme (67) | ✔ | 8 | 60 | 2 | 0.632 | 0.632 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaYCuTe3 | ICSD | 88716 | Cmcm (63) | ✔ | 12 | 100 | 2 | 0.2644 | 0.632 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2ZnAs2 | COD | 4315625 | Ibam (72) | ✔ | 10 | 84 | 1 | 0.5241 | 0.632 | 0.000 | (0;000) | ✗ | 30/01/17 |
Sr3(InP2)2 | ICSD | 61335 | Pnnm (58) | ✔ | 18 | 152 | 1 | 0.6327 | 0.633 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgP2 | ICSD | 35283 | P2_1/c (14) | ✔ | 12 | 84 | 2 | 0.6204 | 0.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaLiP | ICSD | 56444 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.6342 | 0.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
In6Ga2PtO8 | ICSD | 411505 | Fm-3m (225) | ✔ | 17 | 162 | 3 | 0.6207 | 0.634 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sb(IF3)2 | ICSD | 63301 | P-1 (2) | ✔ | 18 | 122 | 1 | 0.5805 | 0.635 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3MnCrO8 | ICSD | 26803 | R3m (160) | ✗ | 13 | 104 | 1 | 0.6011 | 0.635 | 0.000 | (0;000) | ✗ | 22/03/17 |
LiIO3 | ICSD | 35472 | P6_3 (173) | ✗ | 10 | 56 | 3 | 0.4539 | 0.635 | 0.000 | (0;000) | ✔ | 06/10/16 |
LiIO3 | ICSD | 35473 | P6_3 (173) | ✗ | 10 | 56 | 3 | 0.4522 | 0.636 | 0.000 | (0;000) | ✔ | 29/11/16 |
ZrTlCuS3 | ICSD | 82560 | Cmcm (63) | ✔ | 12 | 92 | 3 | 0.6218 | 0.636 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cu(PtS2)2 | ICSD | 74894 | P2/m (10) | ✔ | 14 | 110 | 3 | 0.2819 | 0.636 | 0.000 | (0;000) | ✗ | 07/08/17 |
Sr(P3Pt2)2 | ICSD | 62517 | C2/c (15) | ✔ | 22 | 160 | 3 | 0.4578 | 0.637 | 0.000 | (0;000) | ✗ | 07/08/17 |
ZnAs | COD | 4340531 | Pbca (61) | ✔ | 16 | 136 | 3 | 0.3354 | 0.637 | 0.000 | (0;000) | ✗ | 30/01/17 |
CuAuSe4 | COD | 4331413 | P2_1/m (11) | ✔ | 12 | 92 | 3 | 0.0 | 0.639 | 0.074 | (0;000) | ✗ | 02/02/17 |
BiRhSe | ICSD | 617014 | P2_13 (198) | ✗ | 12 | 152 | 3 | 0.1987 | 0.640 | 0.000 | (0;000) | ✔ | 11/04/17 |
Hg2SeO4 | COD | 1527304 | P2/c (13) | ✔ | 14 | 108 | 3 | 0.3164 | 0.640 | 0.000 | (0;000) | ✗ | 02/02/17 |
CS2 | COD | 9014813 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 0.2875 | 0.641 | 0.000 | (0;000) | ✔ | 11/04/17 |
BiOsSe | ICSD | 616892 | P2_1/c (14) | ✔ | 12 | 148 | 3 | 0.3781 | 0.641 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hf3Tl2(CuSe4)2 | ICSD | 81554 | C2/m (12) | ✔ | 15 | 132 | 3 | 0.5285 | 0.641 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li6FeCl8 | ICSD | 73217 | Fm-3m (225) | ✔ | 15 | 82 | 2 | 0.6417 | 0.642 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pb3O4 | COD | 9003043 | Pbam (55) | ✔ | 14 | 132 | 3 | 0.1559 | 0.643 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaLiSb | COD | 2200086 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.4311 | 0.643 | 0.000 | (0;000) | ✗ | 05/01/17 |
CdCu2GeS4 | ICSD | 26150 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.6433 | 0.644 | 0.000 | (0;000) | ✗ | 22/03/17 |
PdSeO3 | ICSD | 415955 | C2/m (12) | ✔ | 10 | 84 | 2 | 0.6437 | 0.644 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbTeBr3 | ICSD | 35376 | P2/c (13) | ✔ | 20 | 160 | 1 | 0.5241 | 0.644 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoS2N2Cl5 | ICSD | 47102 | P-1 (2) | ✔ | 20 | 142 | 1 | 0.5529 | 0.644 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgO | COD | 1509688 | P2_1/c (14) | ✔ | 8 | 68 | 3 | 0.1484 | 0.645 | 0.000 | (0;000) | ✗ | 05/01/17 |
NClO4 | COD | 9015684 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.6394 | 0.645 | 0.000 | (0;000) | ✗ | 04/08/17 |
VS2Br2N3 | ICSD | 61088 | P-1 (2) | ✔ | 16 | 108 | 1 | 0.633 | 0.645 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiZnN | COD | 1528616 | F-43m (216) | ✗ | 3 | 20 | 3 | 0.6469 | 0.647 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZrSnPd | COD | 1523924 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0 | 0.649 | 0.084 | (0;000) | ✔ | 15/02/17 |
CdSe2 | ICSD | 620416 | Pa3 (205) | ✔ | 12 | 96 | 3 | 0.4947 | 0.650 | 0.000 | (0;000) | ✗ | 02/02/17 |
GeP | ICSD | 637492 | C2/m (12) | ✔ | 12 | 54 | 3 | 0.4879 | 0.651 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(P2Au)2 | COD | 4335202 | Fddd (70) | ✔ | 14 | 104 | 3 | 0.2951 | 0.652 | 0.000 | (0;000) | ✗ | 01/02/17 |
SnSe | ICSD | 16997 | Pmcn (62) | ✔ | 8 | 80 | 2 | 0.4969 | 0.652 | 0.000 | (0;000) | ✗ | 06/10/16 |
SnSe | COD | 9008786 | Pnma (62) | ✔ | 8 | 80 | 2 | 0.4969 | 0.652 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnCu2GeS4 | ICSD | 61693 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.6521 | 0.652 | 0.000 | (0;000) | ✗ | 15/02/17 |
SnSe | ICSD | 186650 | Pmnb (62) | ✔ | 8 | 80 | 2 | 0.4992 | 0.652 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs3NaPb4 | ICSD | 411893 | Cmcm (63) | ✔ | 16 | 184 | 1 | 0.3916 | 0.653 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsPbBr3 | COD | 4510745 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.6539 | 0.654 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiNCl | ICSD | 261525 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.6554 | 0.655 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr3GaN3 | COD | 4313275 | P6_3/m (176) | ✔ | 14 | 116 | 1 | 0.5671 | 0.656 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2Cu2SnS4 | COD | 4000522 | Ibam (72) | ✔ | 18 | 172 | 2 | 0.3271 | 0.656 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnS | ICSD | 156130 | Pmnb (62) | ✔ | 8 | 80 | 3 | 0.531 | 0.656 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZnCu2SiSe4 | ICSD | 629079 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.6565 | 0.657 | 0.000 | (0;000) | ✗ | 22/03/17 |
K2NiP2 | ICSD | 300119 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.6435 | 0.658 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg4Pt | ICSD | 639148 | Im-3m (229) | ✔ | 5 | 58 | 3 | 0.0 | 0.659 | 0.309 | (0;000) | ✗ | 27/01/17 |
NiO2 | COD | 9016308 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.5221 | 0.662 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiSi | COD | 4030885 | I4_1/a (88) | ✔ | 16 | 56 | 3 | 0.0 | 0.662 | 0.046 | (1;111) | ✗ | 02/02/17 |
KBa4Bi3O | COD | 2011038 | I4/mcm (140) | ✔ | 18 | 200 | 1 | 0.5807 | 0.663 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaInO2 | ICSD | 31932 | R-3m (166) | ✔ | 4 | 34 | 3 | 0.5146 | 0.664 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgO | ICSD | 202543 | P2_1/c (14) | ✔ | 8 | 68 | 3 | 0.1696 | 0.666 | 0.000 | (0;000) | ✔ | 06/10/16 |
LiAs | COD | 9008949 | P2_1/c (14) | ✔ | 16 | 64 | 1 | 0.4721 | 0.668 | 0.000 | (0;000) | ✗ | 30/01/17 |
MgP4 | COD | 1528274 | P2_1/c (14) | ✔ | 10 | 60 | 1 | 0.6681 | 0.668 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2NaCoF6 | ICSD | 42157 | R-3m (166) | ✔ | 20 | 172 | 2 | 0.666 | 0.668 | 0.000 | (0;000) | ✗ | 02/02/17 |
PdF4 | ICSD | 1555 | F2dd (43) | ✗ | 10 | 76 | 3 | 0.6264 | 0.669 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2NaInAs2 | ICSD | 300137 | Ibam (72) | ✔ | 12 | 100 | 1 | 0.6694 | 0.669 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2FeH4(SO5)2 | ICSD | 87958 | P-1 (2) | ✔ | 19 | 102 | 2 | 0.6694 | 0.669 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrTl2S3 | COD | 7019865 | P2_1/m (11) | ✔ | 12 | 96 | 3 | 0.6608 | 0.670 | 0.000 | (0;000) | ✗ | 02/02/17 |
P2Rh | ICSD | 42615 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.6698 | 0.670 | 0.000 | (0;000) | ✗ | 27/01/17 |
OsOF4 | ICSD | 417246 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 0.67 | 0.670 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbAs | ICSD | 412594 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.67 | 0.670 | 0.000 | (0;000) | ✗ | 21/03/17 |
ZnGeO3 | ICSD | 183725 | R3c (161) | ✗ | 10 | 68 | 3 | 0.6709 | 0.671 | 0.000 | (0;000) | ✗ | 06/10/16 |
AgSbTe2 | COD | 4111784 | R-3m (166) | ✔ | 4 | 28 | 3 | 0.0 | 0.671 | 0.213 | (0;000) | ✗ | 05/01/17 |
Y3Sb4Au3 | COD | 2105392 | I-43d (220) | ✗ | 20 | 172 | 3 | 0.5301 | 0.673 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ga3Ru | ICSD | 412078 | P4_2/mnm (136) | ✔ | 16 | 220 | 3 | 0.3066 | 0.673 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2CuAs | ICSD | 43937 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.6081 | 0.674 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgP4 | ICSD | 113 | P2_1/c (14) | ✔ | 10 | 60 | 1 | 0.6744 | 0.674 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cu3N | COD | 1010167 | Pm-3m (221) | ✔ | 4 | 38 | 3 | 0.0 | 0.675 | 0.090 | (0;000) | ✗ | 27/01/17 |
TlInS2 | ICSD | 600748 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.6757 | 0.676 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAuI3 | COD | 7209388 | P2_1/c (14) | ✔ | 20 | 164 | 2 | 0.6758 | 0.676 | 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 |
ZnCu2GeS4 | ICSD | 627793 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.677 | 0.677 | 0.000 | (0;000) | ✗ | 22/03/17 |
BiI3 | ICSD | 187607 | P2_1/c (14) | ✔ | 16 | 104 | 2 | 0.6786 | 0.679 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsAgCl3 | COD | 1509779 | I4/mmm (139) | ✔ | 10 | 82 | 2 | 0.6015 | 0.679 | 0.000 | (0;000) | ✗ | 30/01/17 |
PtCl2 | ICSD | 28527 | R-3m (166) | ✔ | 18 | 144 | 2 | 0.6796 | 0.680 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsTaI6 | ICSD | 418487 | C2/c (15) | ✔ | 16 | 128 | 1 | 0.6727 | 0.680 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2ZnN2 | COD | 1005019 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 0.6805 | 0.681 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgCl | ICSD | 31108 | P4/mmm (123) | ✔ | 2 | 18 | 1 | 0.4513 | 0.682 | 0.000 | (0;000) | ✗ | 05/01/17 |
GeAs2 | ICSD | 610601 | Pbam (55) | ✔ | 24 | 112 | 2 | 0.5739 | 0.682 | 0.000 | (0;000) | ✗ | 04/08/17 |
VCuO3 | COD | 1530636 | R-3 (148) | ✔ | 10 | 84 | 3 | 0.6355 | 0.683 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3AsN | ICSD | 56968 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.6838 | 0.684 | 0.000 | (0;000) | ✗ | 05/01/17 |
VS2N3Cl2 | ICSD | 30742 | P-1 (2) | ✔ | 16 | 108 | 1 | 0.6592 | 0.684 | 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 |
NaAg3O2 | COD | 7209379 | Ibam (72) | ✔ | 12 | 108 | 3 | 0.6845 | 0.685 | 0.000 | (0;000) | ✗ | 05/01/17 |
GaAs | ICSD | 190423 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.685 | 0.685 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2AgAs | ICSD | 49007 | C222_1 (20) | ✗ | 8 | 68 | 1 | 0.6852 | 0.685 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zr2ZnAg2F14 | ICSD | 422839 | C2/m (12) | ✔ | 19 | 140 | 3 | 0.2533 | 0.686 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2As2Pd | ICSD | 32009 | Cmcm (63) | ✔ | 10 | 92 | 1 | 0.6777 | 0.686 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ag2O3 | COD | 1509692 | Fdd2 (43) | ✗ | 10 | 80 | 3 | 0.4982 | 0.687 | 0.000 | (0;000) | ✔ | 16/03/17 |
Rb7Au5O2 | COD | 1510569 | Immm (71) | ✔ | 14 | 130 | 3 | 0.6181 | 0.687 | 0.000 | (0;000) | ✗ | 21/03/17 |
CsPbCl3 | COD | 1530111 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.6886 | 0.689 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb5Au3O2 | COD | 1510508 | Pbam (55) | ✔ | 20 | 180 | 1 | 0.6586 | 0.689 | 0.000 | (0;000) | ✗ | 21/03/17 |
AgBiSCl2 | ICSD | 413290 | Cmcm (63) | ✔ | 10 | 92 | 2 | 0.689 | 0.689 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZnTe | ICSD | 184488 | P6_422 (181) | ✗ | 6 | 54 | 3 | 0.6079 | 0.689 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdS2 | ICSD | 620305 | Pa3 (205) | ✔ | 12 | 96 | 3 | 0.6904 | 0.690 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeTe2 | ICSD | 86518 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.691 | 0.013 | (0;000) | ✗ | 06/10/16 |
K4CdAs2 | COD | 1008853 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.6689 | 0.691 | 0.000 | (0;000) | ✗ | 30/01/17 |