▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RbPS3 | ICSD | 416176 | Immm (71) | ✔ | 10 | 64 | 1 | 1.759 | 1.775 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnPS3 | ICSD | 648056 | C2/m (12) | ✔ | 10 | 74 | 2 | 0.0 | 0.016 | 0.440 | (0;000) | ✗ | 02/02/17 |
SnPS3 | ICSD | 72835 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.6984 | 1.832 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrPS3 | ICSD | 405191 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 3.1418 | 3.142 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlPS3 | ICSD | 658902 | Immm (71) | ✔ | 10 | 72 | 1 | 1.7134 | 1.720 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScPS4 | ICSD | 67559 | P-1 (2) | ✔ | 12 | 80 | 2 | 1.8147 | 1.862 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiTlPS5 | COD | 4000515 | P-1 (2) | ✔ | 16 | 120 | 2 | 1.0432 | 1.122 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr5Sb3P | ICSD | 648093 | P6_3/mcm (193) | ✔ | 18 | 80 | 3 | 0.0 | 0.000 | 0.817 | (0;000) | ✗ | 02/02/17 |
SnPSe3 | ICSD | 655564 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.3154 | 1.357 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrPSe3 | ICSD | 412766 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 2.2293 | 2.229 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr5Sn3P | ICSD | 656295 | P6_3/mcm (193) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.681 | (0;000) | ✗ | 02/02/17 |
PS | COD | 2106562 | C2/c (15) | ✔ | 16 | 88 | 1 | 1.9547 | 2.002 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zn(InSe2)2 | ICSD | 25647 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.0876 | 1.088 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca2RuH6 | ICSD | 656082 | Fm-3m (225) | ✔ | 9 | 42 | 2 | 2.043 | 2.043 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbPt2Se3 | ICSD | 69439 | R-3m (166) | ✔ | 12 | 94 | 2 | 0.8141 | 0.814 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlPt2S3 | ICSD | 78784 | P-3m1 (164) | ✔ | 12 | 102 | 2 | 0.7331 | 0.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlPt2Se3 | ICSD | 78785 | P-3m1 (164) | ✔ | 12 | 102 | 3 | 0.0 | 0.447 | 0.035 | (0;000) | ✗ | 02/02/17 |
InCl | ICSD | 2432 | Ccm2_1 (36) | ✗ | 4 | 40 | 3 | 1.4416 | 1.525 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zn(InTe2)2 | ICSD | 25650 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.8631 | 0.863 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr3Pt2 | ICSD | 649707 | R-3 (148) | ✔ | 15 | 150 | 2 | 0.0 | 0.054 | 0.669 | (0;000) | ✗ | 02/02/17 |
TlTe3Pt2 | ICSD | 78787 | P-3m1 (164) | ✔ | 12 | 102 | 3 | 0.0 | 0.261 | 0.145 | (0;000) | ✗ | 02/02/17 |
Rb2Pt3S4 | ICSD | 26267 | Fmmm (69) | ✔ | 9 | 72 | 1 | 0.9917 | 1.169 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc2Si2Pt3 | ICSD | 247425 | Pbam (55) | ✔ | 14 | 120 | 3 | 0.0 | 0.143 | 0.235 | (0;000) | ✗ | 02/02/17 |
Ca2ZnN2 | COD | 1005002 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 0.7565 | 0.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiPt3 | ICSD | 77975 | Pnma (62) | ✔ | 16 | 136 | 3 | 0.0 | 0.014 | 0.201 | (0;000) | ✗ | 02/02/17 |
Ca2PbO4 | COD | 2002530 | Pbam (55) | ✔ | 14 | 116 | 1 | 1.7129 | 1.926 | 0.000 | (0;000) | ✗ | 27/01/17 |
Tl2Pt3 | COD | 1523249 | P6_3/mmc (194) | ✔ | 20 | 224 | 3 | 0.0 | 0.011 | 0.227 | (0;000) | ✗ | 02/02/17 |
YPb2 | ICSD | 105640 | Cmcm (63) | ✔ | 6 | 78 | 3 | 0.0 | 0.000 | 0.685 | (0;000) | ✗ | 06/10/16 |
Ca2SiO4 | ICSD | 182052 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 0.9223 | 0.925 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrPt3 | ICSD | 649888 | P6_3/mmc (194) | ✔ | 16 | 136 | 3 | 0.0 | 0.017 | 0.321 | (0;000) | ✗ | 02/02/17 |
Ca2SiO4 | ICSD | 40657 | I4/mmm (139) | ✔ | 7 | 48 | 2 | 4.5637 | 5.235 | 0.000 | (0;000) | ✗ | 27/01/17 |
YCu6ClO8 | ICSD | 188351 | Fm-3m (225) | ✔ | 16 | 132 | 3 | 0.0 | 0.004 | 0.872 | (0;000) | ✗ | 27/01/17 |
Sb2Pt | COD | 9012348 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0 | 0.170 | 0.036 | (0;000) | ✗ | 02/02/17 |
Re2W | ICSD | 650203 | P6_3/mmc (194) | ✔ | 12 | 176 | 3 | 0.0 | 0.007 | 1.000 | (0;000) | ✗ | 02/02/17 |
Sc2Pt | COD | 2106085 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.015 | 0.299 | (0;000) | ✗ | 02/02/17 |
SiPd | ICSD | 15016 | Pmnb (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.016 | 0.394 | (0;000) | ✗ | 06/10/16 |
SbIrS | ICSD | 41400 | P2_13 (198) | ✗ | 12 | 80 | 3 | 1.5396 | 1.688 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sn4Pt | COD | 1522862 | Ccce (68) | ✔ | 10 | 132 | 3 | 0.0 | 0.032 | 0.303 | (0;000) | ✗ | 02/02/17 |
Ca2SnO4 | COD | 1529022 | Pbam (55) | ✔ | 14 | 116 | 1 | 3.0356 | 3.056 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2PdWO6 | ICSD | 83258 | Fm-3m (225) | ✔ | 10 | 88 | 3 | 0.0 | 0.000 | 0.719 | (0;000) | ✗ | 27/01/17 |
SbIrS | ICSD | 74630 | Pca2_1 (29) | ✗ | 12 | 80 | 3 | 0.9438 | 1.385 | 0.000 | (0;000) | ✗ | 06/10/16 |
Y2Pt | ICSD | 649844 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.012 | 0.457 | (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 |
Ca2TiSiO6 | COD | 9006455 | Fm-3m (225) | ✔ | 10 | 72 | 3 | 3.211 | 3.211 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2Zn3S4 | ICSD | 602243 | Ibam (72) | ✔ | 18 | 156 | 2 | 2.7396 | 2.740 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2SnSe3 | ICSD | 74844 | P-1 (2) | ✔ | 12 | 100 | 1 | 1.8024 | 1.802 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2TeSe4 | ICSD | 650055 | C2/m (12) | ✔ | 7 | 48 | 1 | 0.3592 | 0.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Sn2Se5 | ICSD | 80766 | C2/c (15) | ✔ | 18 | 152 | 3 | 1.1176 | 1.242 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2S | COD | 2104952 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.0772 | 2.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Te3 | COD | 1520875 | Pnma (62) | ✔ | 20 | 144 | 1 | 0.6435 | 0.755 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Te | ICSD | 55158 | P6_3/mmc (194) | ✔ | 6 | 48 | 2 | 1.8381 | 1.838 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3Sb | ICSD | 77991 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.1219 | 0.176 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2Pt3O8 | ICSD | 65412 | R-3m (166) | ✔ | 13 | 98 | 1 | 1.149 | 1.308 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiRh | ICSD | 653588 | P2_1/c (14) | ✔ | 8 | 84 | 3 | 0.0 | 0.703 | 0.033 | (0;000) | ✔ | 27/01/17 |
Rb(SbSe2)2 | ICSD | 402887 | P-1 (2) | ✔ | 14 | 86 | 3 | 1.0963 | 1.399 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbSb | COD | 2011948 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.7509 | 0.763 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbVSe2 | ICSD | 415479 | Fddd (70) | ✔ | 16 | 136 | 1 | 0.015 | 0.184 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnPd | ICSD | 105683 | Pmcn (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.007 | 0.382 | (0;000) | ✗ | 06/10/16 |
RbYTe2 | ICSD | 419996 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 0.923 | 1.605 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3PCl3 | COD | 1530047 | Pm-3m (221) | ✔ | 7 | 56 | 1 | 1.8056 | 1.806 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScRe2 | COD | 1522214 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.006 | 0.770 | (0;000) | ✗ | 02/02/17 |
YRe2 | ICSD | 150517 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.016 | 0.751 | (0;000) | ✗ | 02/02/17 |
ZrRe2 | ICSD | 650212 | P6_3/mmc (194) | ✔ | 12 | 136 | 3 | 0.0 | 0.006 | 0.789 | (0;000) | ✗ | 02/02/17 |
Ca3GeO | ICSD | 402087 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.0 | 0.015 | 0.008 | (0;000) | ✗ | 27/01/17 |
KNO2 | ICSD | 26764 | Cm (8) | ✗ | 4 | 26 | 1 | 2.3753 | 2.619 | 0.000 | (0;000) | ✗ | 06/10/16 |
ReSe2 | ICSD | 650094 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.683 | 0.811 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlRe | COD | 9015220 | Imma (74) | ✔ | 4 | 56 | 1 | 0.0 | 0.002 | 0.224 | (0;000) | ✗ | 02/02/17 |
Rh2S3 | COD | 9007492 | Pbcn (60) | ✔ | 20 | 208 | 3 | 0.3041 | 0.310 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rh2Se3 | ICSD | 650282 | Pbcn (60) | ✔ | 20 | 208 | 3 | 0.0 | 0.007 | 0.042 | (0;000) | ✗ | 02/02/17 |
Y3Si3Rh2 | ICSD | 650344 | Cmcm (63) | ✔ | 16 | 158 | 3 | 0.0 | 0.000 | 0.941 | (0;000) | ✗ | 02/02/17 |
Li4Ca3(SiN3)2 | ICSD | 420675 | C2/m (12) | ✔ | 15 | 80 | 1 | 2.3217 | 2.395 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3N2 | ICSD | 169727 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.4458 | 0.504 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgH2NCl | ICSD | 92480 | Pmma (51) | ✔ | 10 | 52 | 2 | 2.5214 | 2.604 | 0.000 | (0;000) | ✗ | 27/01/17 |
BN | ICSD | 41486 | P6_3mc (186) | ✗ | 4 | 16 | 3 | 5.2311 | 8.408 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sb2Rh | ICSD | 43501 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.0 | 0.150 | 0.034 | (0;000) | ✗ | 02/02/17 |
SiRu | ICSD | 650618 | P2_13 (198) | ✗ | 8 | 80 | 3 | 28.9579 | 0.291 | 1.000 | (0;000) | ✗ | 06/10/16 |
SnPd | ICSD | 109415 | Pmnb (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.018 | 0.403 | (0;000) | ✗ | 06/10/16 |
KNO3 | ICSD | 260601 | R3m (160) | ✗ | 5 | 32 | 1 | 3.1468 | 3.147 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca3N2 | ICSD | 419865 | R-3c (167) | ✔ | 10 | 80 | 1 | 0.792 | 0.955 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3PN | COD | 1527232 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.8179 | 0.818 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3SbN | COD | 1527234 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 0.0 | 0.000 | 0.154 | (0;000) | ✗ | 27/01/17 |
SrPd | ICSD | 648963 | Cmcm (63) | ✔ | 4 | 56 | 3 | 0.0 | 0.052 | 0.090 | (0;000) | ✗ | 27/01/17 |
Y3Rh | ICSD | 650529 | Pnma (62) | ✔ | 16 | 200 | 3 | 0.0 | 0.000 | 0.353 | (0;000) | ✗ | 02/02/17 |
ReS2 | ICSD | 75459 | P-1 (2) | ✔ | 12 | 108 | 2 | 1.1111 | 1.111 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNO3 | ICSD | 260602 | R3m (160) | ✗ | 5 | 32 | 1 | 3.0852 | 3.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
YRu2 | ICSD | 150516 | P6_3/mmc (194) | ✔ | 12 | 172 | 3 | 0.0 | 0.003 | 0.771 | (0;000) | ✗ | 02/02/17 |
Ca3(PO4)2 | COD | 9005865 | R-3m (166) | ✔ | 13 | 88 | 1 | 5.5912 | 5.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(Sb3Ru)4 | ICSD | 42962 | Im3 (204) | ✔ | 17 | 134 | 3 | 0.0 | 0.029 | 0.455 | (0;000) | ✗ | 02/02/17 |
Ca3V2O8 | COD | 9014364 | C2/m (12) | ✔ | 13 | 104 | 1 | 3.4615 | 3.672 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr5Sb3Ru | ICSD | 650598 | P6_3/mcm (193) | ✔ | 18 | 102 | 3 | 0.0 | 0.000 | 0.652 | (0;000) | ✗ | 02/02/17 |
SbRuSe | ICSD | 650594 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.2839 | 0.513 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbTeRu | ICSD | 650595 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.3289 | 0.592 | 0.000 | (0;000) | ✗ | 02/02/17 |
RuSe2 | COD | 9012406 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.4043 | 0.707 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNO3 | ICSD | 384 | R3m (160) | ✗ | 5 | 32 | 1 | 1.7583 | 1.758 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbRuS | ICSD | 650583 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.1583 | 0.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te2Ru | COD | 9012341 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.0 | 0.378 | 0.015 | (0;000) | ✗ | 02/02/17 |
Zr2V3Ru | ICSD | 650765 | P6_3/mmc (194) | ✔ | 12 | 126 | 3 | 0.0 | 0.000 | 0.910 | (0;000) | ✗ | 02/02/17 |
Ca3PbO | COD | 1525462 | Pm-3m (221) | ✔ | 5 | 50 | 1 | 0.0 | 0.016 | 0.004 | (0;000) | ✗ | 27/01/17 |
TlSbS2 | COD | 9007704 | P-1 (2) | ✔ | 16 | 120 | 3 | 1.3814 | 1.381 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiS2 | ICSD | 72042 | Fd-3m (227) | ✔ | 12 | 96 | 3 | 0.0 | 0.006 | 0.081 | (0;000) | ✗ | 02/02/17 |