▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Na3N | ICSD | 165991 | Pnma (62) | ✔ | 16 | 128 | 1 | 0.0 | 0.009 | 0.031 | (1;000) | ✗ | 02/02/17 |
NO2 | ICSD | 52347 | Im3 (204) | ✔ | 18 | 102 | 1 | 2.3492 | 2.349 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Mg(CO3)2 | ICSD | 31295 | R-3m (166) | ✔ | 11 | 72 | 1 | 4.2143 | 4.214 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrO2 | ICSD | 164736 | P4_2/nmc (137) | ✔ | 6 | 48 | 3 | 3.9588 | 4.029 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbI3O | ICSD | 418088 | C2 (5) | ✗ | 10 | 80 | 2 | 0.8135 | 0.850 | 0.000 | (0;000) | ✗ | 06/10/16 |
S2NO | ICSD | 410547 | P-1 (2) | ✔ | 16 | 92 | 1 | 2.1152 | 2.481 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2PdC2 | ICSD | 421490 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 1.4251 | 1.457 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr5Sn3N | ICSD | 656291 | P6_3/mcm (193) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.779 | (0;000) | ✗ | 02/02/17 |
K2PtC2 | ICSD | 421491 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.7799 | 0.813 | 0.000 | (0;000) | ✗ | 27/01/17 |
Tl6TeO12 | ICSD | 37134 | R-3 (148) | ✔ | 19 | 156 | 3 | 0.0769 | 0.010 | 1.000 | (1;000) | ✗ | 02/02/17 |
Y6TeO12 | ICSD | 247820 | R-3 (148) | ✔ | 19 | 144 | 3 | 3.0556 | 3.192 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb3TeI7 | ICSD | 86724 | P3m1 (156) | ✗ | 11 | 94 | 2 | 0.4176 | 0.421 | 0.000 | (0;000) | ✔ | 06/10/16 |
Rb2PbO2 | ICSD | 2267 | P-1 (2) | ✔ | 20 | 176 | 3 | 0.0923 | 0.200 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | ICSD | 419757 | R-3 (148) | ✔ | 18 | 96 | 3 | 5.7691 | 5.908 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li(CO)2 | ICSD | 154354 | C2/m (12) | ✔ | 10 | 46 | 1 | 2.1698 | 2.525 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaAs2 | ICSD | 44069 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.122 | 0.088 | (0;111) | ✔ | 05/01/17 |
BaSb3 | ICSD | 49000 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.0 | 0.104 | 0.361 | (1;001) | ✔ | 02/02/17 |
HgO | ICSD | 16627 | Im2m (44) | ✗ | 2 | 18 | 3 | 0.0 | 0.002 | 0.206 | (1;000) | ✔ | 04/10/16 |
AgI | ICSD | 62789 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.1299 | 1.130 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrZnO2 | ICSD | 15913 | Pnma (62) | ✔ | 16 | 136 | 3 | 2.1685 | 2.169 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiO2 | ICSD | 657748 | P2_1/m (11) | ✔ | 12 | 96 | 2 | 0.0 | 0.014 | 0.473 | (0;000) | ✗ | 02/02/17 |
TlO2 | ICSD | 16230 | Pnnm (58) | ✔ | 18 | 150 | 3 | 0.0 | 0.000 | 0.926 | (0;110) | ✗ | 02/02/17 |
BN | ICSD | 162880 | Cc (9) | ✗ | 8 | 32 | 3 | 3.3515 | 4.168 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuCl | ICSD | 23988 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3607 | 0.361 | 0.000 | (0;000) | ✔ | 06/10/16 |
OsPbO3 | ICSD | 23444 | Fd-3m (227) | ✔ | 20 | 192 | 3 | 0.0 | 0.000 | 0.752 | (0;000) | ✗ | 02/02/17 |
SrOsO3 | ICSD | 237731 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.009 | 0.549 | (0;000) | ✗ | 02/02/17 |
SrOsO3 | ICSD | 237732 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.006 | 0.582 | (0;000) | ✗ | 02/02/17 |
P2O3 | ICSD | 62026 | P2_1/m (11) | ✔ | 20 | 112 | 1 | 3.7642 | 3.787 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pb2O3 | ICSD | 23760 | P2_1/c (14) | ✔ | 20 | 184 | 3 | 1.3282 | 1.397 | 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 |
Te4Pt3 | ICSD | 77983 | C2/m (12) | ✔ | 7 | 54 | 3 | 0.0 | 0.070 | 0.458 | (1;001) | ✔ | 27/01/17 |
P2Os | ICSD | 42609 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.727 | 1.144 | 0.000 | (0;000) | ✗ | 06/10/16 |
TcPbO3 | ICSD | 109078 | Fd-3m (227) | ✔ | 20 | 188 | 3 | 0.0 | 0.004 | 0.486 | (0;000) | ✗ | 02/02/17 |
RbPO3 | ICSD | 74738 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.8349 | 4.835 | 0.000 | (0;000) | ✗ | 02/02/17 |
YMgIn | ICSD | 160910 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.035 | 0.237 | ? | ✗ | 06/10/16 |
RbO3 | ICSD | 6094 | P2_1/c (14) | ✔ | 16 | 108 | 1 | 0.0 | 0.001 | 0.210 | (1;101) | ✗ | 02/02/17 |
MgC2 | ICSD | 88057 | P4_2/mnm (136) | ✔ | 6 | 36 | 2 | 2.874 | 3.338 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbInS2 | ICSD | 640054 | P-6m2 (187) | ✗ | 4 | 38 | 3 | 0.0 | 0.030 | 0.270 | (0;000) | ✔ | 06/10/16 |
NiC2(SN)2 | ICSD | 31320 | C2/m (12) | ✔ | 7 | 40 | 2 | 0.0 | 0.014 | 0.451 | (0;000) | ✗ | 27/01/17 |
ScRhO3 | ICSD | 237350 | P2_1/m (11) | ✔ | 20 | 184 | 3 | 0.8501 | 0.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrRuO3 | ICSD | 82977 | Pnma (62) | ✔ | 20 | 176 | 2 | 0.0 | 0.020 | 0.552 | (0;000) | ✗ | 02/02/17 |
SrRuO3 | ICSD | 97368 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.021 | 0.723 | (0;000) | ✗ | 02/02/17 |
Sb2O3 | ICSD | 27595 | Pccn (56) | ✔ | 20 | 112 | 2 | 0.0 | 0.129 | 1.000 | (0;000) | ✗ | 02/02/17 |
Na2PdC2 | ICSD | 50172 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 0.926 | 1.020 | 0.000 | (0;000) | ✗ | 27/01/17 |
OsS2 | ICSD | 647750 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.0 | 0.034 | 0.187 | (1;000) | ✗ | 06/10/16 |
NbInS2 | ICSD | 74702 | P-6m2 (187) | ✗ | 4 | 38 | 2 | 0.0 | 0.014 | 0.412 | (0;000) | ✔ | 06/10/16 |
Na2PtC2 | ICSD | 411389 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.0 | 0.122 | 0.052 | (0;000) | ✗ | 27/01/17 |
YScO3 | ICSD | 237285 | Pnma (62) | ✔ | 20 | 160 | 3 | 4.5155 | 4.516 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrSeO3 | ICSD | 419386 | Pnma (62) | ✔ | 20 | 136 | 1 | 4.0455 | 4.122 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbInSe2 | ICSD | 53102 | P-6m2 (187) | ✗ | 4 | 38 | 3 | 0.0 | 0.048 | 0.383 | (1;100) | ✔ | 06/10/16 |
Ni(CO2)2 | ICSD | 190774 | P2_1/c (14) | ✔ | 14 | 84 | 3 | 0.0 | 0.030 | 0.252 | (0;000) | ✗ | 27/01/17 |
ScNiC2 | ICSD | 618562 | P4/nmm (129) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.711 | (0;000) | ✗ | 27/01/17 |
RbSb | ICSD | 191491 | F-43m (216) | ✗ | 2 | 14 | 1 | 0.0 | 0.000 | 0.134 | (0;000) | ✔ | 06/10/16 |
SrTeO3 | ICSD | 182023 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 3.4504 | 3.491 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sb2Os | ICSD | 42611 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.4307 | 0.991 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbInSe2 | ICSD | 640056 | P-6m2 (187) | ✗ | 4 | 38 | 2 | 0.0 | 0.020 | 0.401 | (0;000) | ✔ | 06/10/16 |
Rb(CO)2 | ICSD | 154356 | C2/m (12) | ✔ | 10 | 58 | 1 | 2.7302 | 2.822 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y2O3 | ICSD | 192863 | C2/m (12) | ✔ | 15 | 120 | 3 | 0.0 | 0.006 | 0.695 | (0;000) | ✗ | 02/02/17 |
YO3 | ICSD | 23011 | Pnma (62) | ✔ | 16 | 116 | 3 | 0.0 | 0.000 | 0.566 | (1;110) | ✗ | 02/02/17 |
Pb3O4 | ICSD | 97282 | Pbam (55) | ✔ | 14 | 132 | 3 | 0.0 | 0.004 | 0.290 | (1;100) | ✗ | 02/02/17 |
Pb(CO2)2 | ICSD | 109831 | P-1 (2) | ✔ | 14 | 92 | 3 | 2.7558 | 2.756 | 0.000 | (0;000) | ✗ | 27/01/17 |
YInNi | ICSD | 59455 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.000 | 0.885 | ? | ✗ | 06/10/16 |
TlPd3O4 | ICSD | 2275 | Fm-3m (225) | ✔ | 16 | 182 | 3 | 0.9298 | 0.930 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Zn3O4 | ICSD | 40754 | C2/c (15) | ✔ | 18 | 156 | 3 | 1.5657 | 1.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sn(CO2)2 | ICSD | 150101 | C2/c (15) | ✔ | 14 | 92 | 3 | 2.598 | 2.613 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbReO4 | ICSD | 73297 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 4.4777 | 4.478 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sn3O4 | ICSD | 174299 | P2/c (13) | ✔ | 14 | 132 | 3 | 0.0 | 0.032 | 0.525 | (0;100) | ✗ | 02/02/17 |
Sr2SnO4 | ICSD | 150385 | Cmce (64) | ✔ | 14 | 116 | 2 | 2.9875 | 3.009 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pb2SO5 | ICSD | 30627 | C2/m (12) | ✔ | 16 | 128 | 3 | 2.5863 | 2.595 | 0.000 | (0;000) | ✗ | 02/02/17 |
P4S5 | ICSD | 1995 | P2_1/m (11) | ✔ | 18 | 100 | 1 | 2.2857 | 2.286 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zn(CO2)2 | ICSD | 109665 | P2_1/c (14) | ✔ | 14 | 88 | 3 | 2.3536 | 2.354 | 0.000 | (0;000) | ✗ | 27/01/17 |
PRu | ICSD | 109139 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.000 | 0.331 | (0;011) | ✗ | 27/01/17 |
InPS4 | ICSD | 1699 | I-4 (82) | ✗ | 6 | 42 | 3 | 2.4577 | 2.557 | 0.000 | (0;000) | ✗ | 06/10/16 |
InPS4 | ICSD | 23612 | I-4 (82) | ✗ | 6 | 42 | 1 | 0.0 | 0.012 | 0.255 | (0;001) | ✔ | 06/10/16 |
VSnPO5 | ICSD | 415445 | P-1 (2) | ✔ | 16 | 124 | 3 | 0.0 | 0.004 | 0.340 | (1;000) | ✗ | 02/02/17 |
Rb(OsO3)2 | ICSD | 157440 | Fd-3m (227) | ✔ | 18 | 154 | 3 | 0.0 | 0.000 | 0.413 | (0;000) | ✗ | 02/02/17 |
ClF | ICSD | 406442 | P2_1/c (14) | ✔ | 8 | 56 | 1 | 2.4667 | 2.494 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbSb2 | ICSD | 419402 | C2/m (12) | ✔ | 6 | 38 | 1 | 0.3062 | 0.713 | 0.000 | (0;000) | ✔ | 02/02/17 |
Pb3SO6 | ICSD | 30712 | Cmcm (63) | ✔ | 20 | 168 | 3 | 1.014 | 1.014 | 0.000 | (0;000) | ✗ | 02/02/17 |
PW | ICSD | 42056 | Pmnb (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.003 | 0.392 | (1;011) | ✗ | 06/10/16 |
Pb(SeO3)2 | ICSD | 154718 | P2_1/c (14) | ✔ | 18 | 124 | 3 | 1.9558 | 2.355 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc(ReO3)2 | ICSD | 245796 | P2_1/c (14) | ✔ | 18 | 154 | 3 | 0.0 | 0.000 | 0.679 | (0;110) | ✗ | 02/02/17 |
Sr2ZnReO6 | ICSD | 173492 | P2_1/c (14) | ✔ | 20 | 166 | 3 | 0.0 | 0.000 | 0.780 | (0;101) | ✗ | 02/02/17 |
Sr2YRuO6 | ICSD | 49500 | P2_1/c (14) | ✔ | 20 | 166 | 3 | 0.0 | 0.000 | 0.798 | (0;101) | ✗ | 02/02/17 |
InPS4 | ICSD | 640195 | I-4 (82) | ✗ | 6 | 42 | 3 | 2.5278 | 2.613 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr2ScSbO6 | ICSD | 262994 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 3.7678 | 3.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2YSbO6 | ICSD | 154033 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 4.0722 | 4.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sn(SeO3)2 | ICSD | 154717 | P2_1/c (14) | ✔ | 18 | 124 | 3 | 3.5691 | 3.902 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc(AlC)3 | ICSD | 660402 | P6_3/mmc (194) | ✔ | 14 | 64 | 3 | 0.0 | 1.377 | 0.021 | (0;000) | ✗ | 27/01/17 |
Sr2ZnWO6 | ICSD | 190595 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 2.9052 | 3.041 | 0.000 | (0;000) | ✗ | 02/02/17 |
VP2O7 | ICSD | 39762 | C2/c (15) | ✔ | 20 | 130 | 3 | 0.0 | 0.000 | 0.285 | (1;011) | ✗ | 02/02/17 |
YInPd | ICSD | 640260 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.005 | 0.839 | ? | ✗ | 06/10/16 |
Y(AlC)3 | ICSD | 606289 | P6_3/mmc (194) | ✔ | 14 | 64 | 3 | 0.0 | 1.042 | 0.030 | (0;000) | ✗ | 27/01/17 |
Ta4AlC3 | ICSD | 157843 | P6_3/mmc (194) | ✔ | 16 | 134 | 3 | 0.0 | 0.000 | 0.909 | (1;000) | ✗ | 27/01/17 |
Tl4V2O7 | ICSD | 72810 | P-3m1 (164) | ✔ | 13 | 120 | 2 | 2.3238 | 2.339 | 0.000 | (0;000) | ✗ | 02/02/17 |
P2Ru | ICSD | 42607 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.5463 | 1.339 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScInPt | ICSD | 411459 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.000 | 0.673 | ? | ✗ | 06/10/16 |
Y2Cr2C3 | ICSD | 617562 | C2/m (12) | ✔ | 7 | 62 | 3 | 0.0 | 0.020 | 0.313 | (0;111) | ✗ | 27/01/17 |
YOs2 | ICSD | 150518 | P6_3/mmc (194) | ✔ | 12 | 172 | 3 | 0.0 | 0.002 | 0.921 | (0;000) | ✗ | 02/02/17 |
YInPt | ICSD | 415509 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.022 | 0.879 | ? | ✗ | 06/10/16 |