▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SO3 | COD | 9010982 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 5.8568 | 5.878 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnSiO3 | COD | 9006919 | C2/c (15) | ✔ | 20 | 136 | 3 | 3.765 | 3.845 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sb2O3 | COD | 9012853 | Fd-3m (227) | ✔ | 20 | 112 | 1 | 0.0 | 3.145 | 1.000 | (0;000) | ✗ | 02/02/17 |
RbTaO3 | COD | 1528059 | C2/m (12) | ✔ | 20 | 160 | 2 | 3.6926 | 3.756 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnPbO3 | COD | 9014470 | Fd-3m (227) | ✔ | 20 | 184 | 3 | 0.0 | 0.014 | 0.202 | (0;000) | ✗ | 02/02/17 |
SiO2 | COD | 9006292 | C2/c (15) | ✔ | 12 | 64 | 3 | 5.7175 | 5.979 | 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 |
ScNiSn | COD | 1522179 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.001 | 0.665 | (0;011) | ✗ | 02/02/17 |
Ta2NiO6 | COD | 2002356 | P4_2/mnm (136) | ✔ | 18 | 144 | 3 | 0.0 | 0.005 | 0.556 | (0;000) | ✗ | 02/02/17 |
Ni2SbTe2 | COD | 1533053 | P6_3/mmc (194) | ✔ | 10 | 74 | 2 | 0.0 | 0.000 | 0.889 | (0;000) | ✗ | 02/02/17 |
NbTe2 | COD | 2101235 | P4/m (83) | ✔ | 6 | 50 | 1 | 0.0 | 0.007 | 0.538 | (1;001) | ✗ | 02/02/17 |
NbNiP2 | COD | 1524303 | Pnma (62) | ✔ | 16 | 132 | 3 | 0.0 | 0.000 | 0.323 | (0;100) | ✗ | 02/02/17 |
Nb5Si3 | COD | 1528784 | I4/mcm (140) | ✔ | 16 | 154 | 3 | 0.0 | 0.000 | 0.607 | (0;111) | ✗ | 02/02/17 |
Nb2O7 | COD | 7212095 | Fd-3m (227) | ✔ | 18 | 136 | 3 | 0.0 | 0.000 | 0.607 | (0;000) | ✗ | 02/02/17 |
NaSb | COD | 9008950 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.6112 | 0.614 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaVO3 | COD | 9011241 | Pnma (62) | ✔ | 20 | 160 | 1 | 2.8739 | 2.938 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaSbO3 | COD | 4124538 | Pnma (62) | ✔ | 20 | 128 | 3 | 1.567 | 1.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na4TeO5 | COD | 1530933 | P-1 (2) | ✔ | 20 | 144 | 1 | 2.3788 | 2.498 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na4SiO4 | COD | 1527119 | P-1 (2) | ✔ | 18 | 128 | 1 | 2.1219 | 2.136 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2TiSiO5 | COD | 9011189 | P4/nmm (129) | ✔ | 18 | 128 | 2 | 3.217 | 3.424 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta3N5 | COD | 1005006 | Cmcm (63) | ✔ | 16 | 128 | 3 | 1.2557 | 1.519 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tc2Pt(NO2)4 | COD | 9007726 | P-1 (2) | ✔ | 15 | 108 | 1 | 0.0 | 0.803 | 1.000 | (0;000) | ✗ | 02/02/17 |
SrSiN2 | COD | 4343851 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.9169 | 3.060 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2NiN2 | COD | 1526740 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.0 | 0.001 | 0.269 | (0;000) | ✗ | 02/02/17 |
MoPO7 | COD | 9016001 | P2_1/m (11) | ✔ | 18 | 122 | 2 | 0.0 | 0.000 | 0.748 | (1;011) | ✗ | 02/02/17 |
Sn(Mo3S4)2 | COD | 1529546 | R-3 (148) | ✔ | 15 | 146 | 3 | 0.0 | 0.001 | 0.683 | (1;000) | ✗ | 02/02/17 |
Mo3S4 | COD | 4335444 | P-1 (2) | ✔ | 14 | 132 | 3 | 0.0 | 0.031 | 0.280 | (1;001) | ✗ | 02/02/17 |
SrMnO3 | COD | 1529598 | P6_3/mmc (194) | ✔ | 20 | 172 | 3 | 0.0 | 0.003 | 0.317 | (0;000) | ✗ | 02/02/17 |
Rb2NaMnO4 | COD | 2206577 | P2_1/m (11) | ✔ | 16 | 132 | 1 | 0.0 | 0.011 | 0.310 | (0;000) | ✗ | 02/02/17 |
SrMgSn | COD | 1523525 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.011 | 0.116 | (0;000) | ✗ | 02/02/17 |
Na2MgSn | COD | 4328980 | P6_3/mmc (194) | ✔ | 8 | 84 | 1 | 0.0 | 0.024 | 0.090 | (1;000) | ✗ | 02/02/17 |
Mg3Nb6O11 | COD | 1530351 | P-3m1 (164) | ✔ | 20 | 174 | 3 | 0.1754 | 0.735 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrMg2 | COD | 4311325 | P6_3/mmc (194) | ✔ | 12 | 120 | 1 | 0.0 | 0.003 | 0.568 | (1;000) | ✗ | 02/02/17 |
SrLiSb | COD | 1528545 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.4973 | 0.497 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiP | COD | 9015447 | P2_1/c (14) | ✔ | 16 | 64 | 1 | 0.8201 | 1.112 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiSc(SiO3)2 | COD | 9008451 | C2/c (15) | ✔ | 20 | 116 | 3 | 5.094 | 5.223 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiSbO3 | COD | 1000141 | Pnna (52) | ✔ | 20 | 104 | 3 | 2.5446 | 2.545 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li7Sn3 | COD | 7221164 | P2_1/m (11) | ✔ | 20 | 126 | 1 | 0.0 | 0.000 | 0.982 | (0;000) | ✗ | 02/02/17 |
KTeP2 | COD | 4105329 | P2_1/m (11) | ✔ | 16 | 100 | 1 | 1.0863 | 1.302 | 0.000 | (0;000) | ✗ | 02/02/17 |
KReO4 | COD | 2106705 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 4.3067 | 4.307 | 0.000 | (0;000) | ✗ | 02/02/17 |
K(OsO3)2 | COD | 1529026 | Fd-3m (227) | ✔ | 18 | 154 | 3 | 0.0 | 0.000 | 0.427 | (0;000) | ✗ | 02/02/17 |
N2 | COD | 9014232 | Pmna (53) | ✔ | 16 | 80 | 1 | 0.0 | 0.002 | 0.369 | (1;100) | ✗ | 02/02/17 |
SnS5N2 | COD | 2104053 | Pbam (55) | ✔ | 16 | 108 | 3 | 0.0 | 0.004 | 0.443 | (1;100) | ✗ | 02/02/17 |
Na2MgPb | COD | 4338303 | P6_3/mmc (194) | ✔ | 8 | 84 | 1 | 0.0 | 0.002 | 0.253 | (1;000) | ✗ | 02/02/17 |
LiV(SiO3)2 | COD | 9008443 | C2/c (15) | ✔ | 20 | 120 | 3 | 0.0 | 0.008 | 0.185 | (1;000) | ✗ | 02/02/17 |
Li8Pb3 | COD | 1528240 | R-3m (166) | ✔ | 11 | 66 | 1 | 0.0 | 0.158 | 0.632 | (1;111) | ✗ | 02/02/17 |
Li7Sn2 | COD | 7221115 | Cmmm (65) | ✔ | 18 | 98 | 1 | 0.0 | 0.023 | 0.601 | (1;110) | ✗ | 02/02/17 |
LiV(SiO3)2 | COD | 2006833 | C2/c (15) | ✔ | 20 | 120 | 3 | 0.0 | 0.009 | 0.160 | (1;000) | ✗ | 02/02/17 |
Mg3Sn | COD | 1524089 | P-3 (147) | ✔ | 8 | 88 | 3 | 0.0 | 0.000 | 0.627 | (1;001) | ✗ | 02/02/17 |
LiSi | COD | 4030885 | I4_1/a (88) | ✔ | 16 | 56 | 3 | 0.0 | 0.662 | 0.046 | (1;111) | ✗ | 02/02/17 |
Mg3P2 | COD | 1011277 | Pn-3m (224) | ✔ | 10 | 80 | 1 | 1.0541 | 1.179 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pt(S3N)2 | COD | 9015488 | P-3m1 (164) | ✔ | 9 | 56 | 1 | 0.0 | 0.002 | 0.439 | (0;000) | ✗ | 02/02/17 |
Sc2MnS4 | COD | 1532031 | Fd-3m (227) | ✔ | 14 | 122 | 3 | 0.0 | 0.000 | 0.688 | (0;000) | ✗ | 02/02/17 |
Sr2Mn2O5 | COD | 9015609 | Pbam (55) | ✔ | 18 | 160 | 3 | 0.0 | 0.005 | 0.685 | (1;000) | ✗ | 02/02/17 |
MnS2 | COD | 9008044 | Pa3 (205) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.709 | (0;111) | ✗ | 02/02/17 |
S3(NO)2 | COD | 7221393 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.241 | 1.348 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoO3 | COD | 9014987 | Pnma (62) | ✔ | 16 | 128 | 2 | 2.2396 | 3.008 | 0.000 | (0;000) | ✗ | 02/02/17 |
S3(NO)2 | COD | 7221380 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.5897 | 1.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
YS2NO6 | COD | 2100265 | P2_1/c (14) | ✔ | 20 | 128 | 3 | 0.0 | 0.013 | 0.544 | (1;000) | ✗ | 02/02/17 |
NaTi(SiO3)2 | COD | 2104036 | C2/c (15) | ✔ | 20 | 130 | 3 | 0.0 | 0.000 | 0.941 | (0;101) | ✗ | 02/02/17 |
Na2S | COD | 2106220 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.6588 | 2.659 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaTa3N5 | COD | 1005042 | Cmcm (63) | ✔ | 18 | 146 | 3 | 0.0 | 0.000 | 0.705 | (1;110) | ✗ | 02/02/17 |
Na2SrSn4 | COD | 8103057 | C2/c (15) | ✔ | 14 | 168 | 1 | 0.0 | 0.036 | 0.351 | (0;000) | ✗ | 02/02/17 |
NaSc(SiO3)2 | COD | 9011146 | C2/c (15) | ✔ | 20 | 128 | 3 | 5.1211 | 5.277 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na6ZnSn2 | COD | 4101591 | C2/m (12) | ✔ | 9 | 94 | 1 | 0.0 | 0.072 | 0.126 | (0;000) | ✗ | 02/02/17 |
NaSc(SiO3)2 | COD | 2009802 | C2/c (15) | ✔ | 20 | 128 | 3 | 5.1238 | 5.277 | 0.000 | (0;000) | ✗ | 02/02/17 |
NO2 | COD | 2104473 | Im3 (204) | ✔ | 18 | 102 | 1 | 2.8252 | 2.825 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbNbO3 | COD | 1528862 | P-1 (2) | ✔ | 20 | 160 | 1 | 3.6791 | 3.683 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb3Se4 | COD | 1528080 | P6_3/m (176) | ✔ | 14 | 126 | 3 | 0.0 | 0.000 | 0.972 | (1;000) | ✗ | 02/02/17 |
NbO3 | COD | 9015165 | Im3 (204) | ✔ | 16 | 124 | 3 | 0.0 | 0.002 | 0.701 | (0;111) | ✗ | 02/02/17 |
YNiSn | COD | 1523634 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.002 | 0.726 | (0;011) | ✗ | 02/02/17 |
Ni3S4 | COD | 9009863 | Fd-3m (227) | ✔ | 14 | 108 | 3 | 0.0 | 0.198 | 0.596 | (0;000) | ✗ | 02/02/17 |
NiSe2 | COD | 9012537 | Pa3 (205) | ✔ | 12 | 88 | 3 | 0.0 | 0.033 | 0.440 | (1;000) | ✗ | 02/02/17 |
Ba3In2Br2O5 | COD | 2002540 | I4/mmm (139) | ✔ | 12 | 100 | 2 | 1.5364 | 2.122 | 0.000 | (0;000) | ✗ | 21/03/17 |
V5SiB2 | COD | 1510833 | I4/mcm (140) | ✔ | 16 | 150 | 3 | 0.0 | 0.001 | 0.686 | (1;100) | ✗ | 21/03/17 |
NbCoSn | COD | 1524613 | F-43m (216) | ✗ | 3 | 44 | 3 | 0.0 | 0.210 | 0.285 | (0;000) | ✔ | 15/02/17 |
TlSe | COD | 9008952 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.0 | 0.367 | 0.043 | (0;000) | ✗ | 02/02/17 |
Sc5Pb3 | COD | 2310215 | P6_3/mcm (193) | ✔ | 16 | 194 | 3 | 0.0 | 0.000 | 0.821 | (0;000) | ✗ | 02/02/17 |
Pb3O4 | COD | 9003043 | Pbam (55) | ✔ | 14 | 132 | 3 | 0.1559 | 0.643 | 0.000 | (0;000) | ✗ | 02/02/17 |
ReO3 | COD | 1523942 | Im3 (204) | ✔ | 16 | 132 | 3 | 0.0 | 0.000 | 0.902 | (0;111) | ✗ | 02/02/17 |
VO2 | COD | 1527408 | P-1 (2) | ✔ | 12 | 100 | 2 | 0.0 | 0.011 | 0.534 | (1;001) | ✗ | 02/02/17 |
RbVO3 | COD | 1527492 | Pbcm (57) | ✔ | 20 | 160 | 1 | 3.1717 | 3.195 | 0.000 | (0;000) | ✗ | 02/02/17 |
YVO3 | COD | 1531189 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.0 | 0.009 | 0.476 | (0;000) | ✗ | 02/02/17 |
SrSnO3 | COD | 1521093 | Pnma (62) | ✔ | 20 | 168 | 3 | 2.1483 | 2.168 | 0.000 | (0;000) | ✗ | 02/02/17 |
YTiO3 | COD | 2101924 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.001 | 0.698 | (0;110) | ✗ | 02/02/17 |
Te2Pd3Pb2 | COD | 9013781 | Pmmn (59) | ✔ | 14 | 188 | 3 | 0.0 | 0.011 | 0.314 | (0;000) | ✗ | 02/02/17 |
Sr2YTaO6 | COD | 2100266 | P2_1/c (14) | ✔ | 20 | 160 | 3 | 3.9094 | 3.944 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCO3 | COD | 9000969 | R-3c (167) | ✔ | 10 | 64 | 2 | 5.1595 | 5.398 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zn(SbO3)2 | COD | 9012739 | P4_2/mnm (136) | ✔ | 18 | 116 | 3 | 0.9854 | 1.087 | 0.000 | (0;000) | ✗ | 02/02/17 |
P2Pd3S8 | COD | 1527147 | P-3m1 (164) | ✔ | 13 | 112 | 3 | 1.0522 | 1.053 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y2S2O | COD | 4030480 | P2_1/c (14) | ✔ | 20 | 160 | 3 | 2.5291 | 2.592 | 0.000 | (0;000) | ✗ | 02/02/17 |
P2Pd15 | COD | 1527081 | R-3 (148) | ✔ | 17 | 280 | 3 | 0.0 | 0.001 | 0.539 | (0;000) | ✗ | 02/02/17 |
SnSe | COD | 9008786 | Pnma (62) | ✔ | 8 | 80 | 2 | 0.4969 | 0.652 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2SiS3 | COD | 8100236 | C2/m (12) | ✔ | 12 | 80 | 1 | 2.8708 | 2.943 | 0.000 | (0;000) | ✗ | 02/02/17 |
PdS | COD | 9008964 | P4_2/m (84) | ✔ | 16 | 192 | 3 | 0.0 | 0.012 | 0.455 | (0;000) | ✗ | 02/02/17 |
Zr(SiPd)3 | COD | 4001641 | Cmcm (63) | ✔ | 14 | 140 | 3 | 0.0 | 0.010 | 0.671 | (1;000) | ✗ | 02/02/17 |
Sn3Pd | COD | 1522863 | Cmce (64) | ✔ | 16 | 240 | 3 | 0.0 | 0.014 | 0.604 | (1;000) | ✗ | 02/02/17 |
Sn4Pt | COD | 1522862 | Ccce (68) | ✔ | 10 | 132 | 3 | 0.0 | 0.032 | 0.303 | (0;000) | ✗ | 02/02/17 |
Zr9Pt11 | COD | 1522663 | I4/m (87) | ✔ | 20 | 146 | 3 | 0.0 | 0.002 | 0.376 | (0;111) | ✗ | 02/02/17 |
Sc2Pt | COD | 2106085 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.015 | 0.299 | (0;000) | ✗ | 02/02/17 |