▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sr(InHg)2 | ICSD | 427211 | I4/mmm (139) | ✔ | 5 | 60 | 3 | 0.0 | 0.032 | 0.716 | (1;000) | ✗ | 27/01/17 |
Li2NiO2 | ICSD | 25000 | Immm (71) | ✔ | 5 | 28 | 1 | 0.6319 | 1.114 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ni4Mo | COD | 1523776 | I4/m (87) | ✔ | 5 | 54 | 3 | 0.0 | 0.001 | 0.721 | (1;000) | ✗ | 27/01/17 |
SrNiSn3 | COD | 1523462 | I4mm (107) | ✗ | 5 | 62 | 3 | 0.0 | 0.020 | 0.358 | (1;000) | ✔ | 29/03/17 |
GePbO3 | ICSD | 185700 | Pm-3m (221) | ✔ | 5 | 36 | 3 | 0.3679 | 2.652 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2PdS2 | ICSD | 641296 | Immm (71) | ✔ | 5 | 48 | 1 | 1.1239 | 1.634 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sb2TeSe2 | ICSD | 651529 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.0656 | 0.066 | 0.000 | (1;000) | ✗ | 27/01/17 |
CsIO3 | COD | 1010900 | Pm-3m (221) | ✔ | 5 | 34 | 3 | 0.0 | 0.003 | 0.715 | (0;000) | ✗ | 22/03/17 |
Ni4W | COD | 1523560 | I4/m (87) | ✔ | 5 | 54 | 3 | 0.0 | 0.023 | 0.698 | (1;000) | ✗ | 27/01/17 |
HfPbO3 | ICSD | 161702 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 2.1252 | 2.134 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mn3ZnN | COD | 1009051 | Pm-3m (221) | ✔ | 5 | 62 | 3 | 0.0 | 0.000 | 0.450 | (1;000) | ✗ | 27/01/17 |
Sr(SbPd)2 | ICSD | 61195 | I4/mmm (139) | ✔ | 5 | 56 | 3 | 0.0 | 0.008 | 0.775 | (0;000) | ✗ | 27/01/17 |
Zr2SN2 | COD | 4124522 | P-3m1 (164) | ✔ | 5 | 24 | 3 | 0.6062 | 1.069 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbGeI3 | ICSD | 40216 | Pm-3m (221) | ✔ | 5 | 34 | 3 | 0.349 | 0.349 | 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 |
Zr(NiP)2 | ICSD | 76679 | I4/mmm (139) | ✔ | 5 | 34 | 3 | 0.0 | 0.001 | 0.343 | (1;000) | ✗ | 27/01/17 |
K2NiO2 | COD | 1530497 | I4/mmm (139) | ✔ | 5 | 40 | 1 | 0.0 | 0.056 | 0.246 | (0;000) | ✗ | 27/01/17 |
NaTaO3 | ICSD | 28617 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 2.2699 | 2.960 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(MgSb)2 | COD | 7221201 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.7472 | 1.394 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ag3SI | COD | 1510010 | Pm-3m (221) | ✔ | 5 | 46 | 3 | 0.5828 | 0.818 | 0.000 | (0;000) | ✗ | 30/01/17 |
Hf2H2Pd | ICSD | 638175 | I4/mmm (139) | ✔ | 5 | 44 | 3 | 0.0 | 0.016 | 0.507 | (0;111) | ✗ | 27/01/17 |
Hf2SN2 | ICSD | 250915 | P-3m1 (164) | ✔ | 5 | 40 | 3 | 0.4848 | 1.577 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrSn3Pd | COD | 1523463 | I4mm (107) | ✗ | 5 | 70 | 3 | 0.0 | 0.015 | 0.376 | (0;001) | ✔ | 29/03/17 |
Sr(PPd)2 | ICSD | 36373 | I4/mmm (139) | ✔ | 5 | 56 | 2 | 0.0 | 0.055 | 0.807 | (1;000) | ✗ | 27/01/17 |
K2Te2Pd | ICSD | 641302 | Immm (71) | ✔ | 5 | 48 | 3 | 0.5189 | 1.084 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(PRh)2 | ICSD | 50186 | I4/mmm (139) | ✔ | 5 | 54 | 2 | 0.0 | 0.018 | 0.576 | (1;000) | ✗ | 27/01/17 |
Sr(SiPd)2 | ICSD | 648864 | I4/mmm (139) | ✔ | 5 | 54 | 3 | 0.0 | 0.020 | 0.692 | (0;000) | ✗ | 27/01/17 |
Y2O3 | ICSD | 192864 | P-3m1 (164) | ✔ | 5 | 40 | 3 | 3.7363 | 4.341 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2Te2Pt | ICSD | 627076 | Immm (71) | ✔ | 5 | 40 | 1 | 0.7283 | 0.972 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2NiO2 | ICSD | 66277 | I4/mmm (139) | ✔ | 5 | 40 | 1 | 0.0 | 0.051 | 0.639 | (0;000) | ✗ | 27/01/17 |
Li2H2Pd | ICSD | 108534 | I4/mmm (139) | ✔ | 5 | 26 | 2 | 0.0 | 0.020 | 0.279 | (0;111) | ✗ | 27/01/17 |
SrMoO3 | ICSD | 174207 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 27/01/17 |
K2PtS2 | ICSD | 26258 | Immm (71) | ✔ | 5 | 40 | 1 | 1.2612 | 1.793 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ni3Se2 | COD | 9009243 | R32 (155) | ✗ | 5 | 42 | 3 | 0.0 | 0.002 | 0.603 | ? | ✗ | 15/02/17 |
SO4 | ICSD | 37435 | F-43m (216) | ✗ | 5 | 30 | 1 | 0.0 | 0.000 | 0.598 | ? | ✗ | 15/02/17 |
Sr(PRu)2 | ICSD | 648030 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.001 | 0.650 | (1;000) | ✗ | 27/01/17 |
CaSi3Pt | ICSD | 181448 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.013 | 0.420 | ? | ✗ | 15/02/17 |
Ti3InN | ICSD | 42929 | Pm-3m (221) | ✔ | 5 | 54 | 3 | 0.0 | 0.000 | 0.263 | (0;111) | ✗ | 27/01/17 |
Rb2Te2Pd | ICSD | 648727 | Immm (71) | ✔ | 5 | 48 | 1 | 0.5801 | 1.185 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hf(SiNi)2 | ICSD | 638721 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.013 | 0.559 | (0;000) | ✗ | 27/01/17 |
Li2NiO2 | ICSD | 73874 | P-3m1 (164) | ✔ | 5 | 28 | 2 | 0.0 | 0.016 | 0.600 | (0;000) | ✗ | 27/01/17 |
K2HgO2 | ICSD | 27410 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 2.1836 | 2.339 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hf3Te2 | ICSD | 75936 | I4/mmm (139) | ✔ | 5 | 48 | 2 | 0.0 | 0.011 | 0.811 | (0;000) | ✗ | 27/01/17 |
In2Se3 | COD | 1528774 | R-3m (166) | ✔ | 5 | 44 | 1 | 0.0 | 0.008 | 0.378 | (0;111) | ✗ | 27/01/17 |
Rb2HgO2 | ICSD | 66276 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 2.1749 | 2.175 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2HgO2 | ICSD | 27409 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 1.7526 | 1.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
YTiSi | ICSD | 88113 | P4/nmm (129) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.677 | (0;001) | ✗ | 27/01/17 |
RbBH4 | COD | 4315654 | C222 (21) | ✗ | 6 | 16 | 1 | 5.3748 | 5.489 | 0.000 | (0;000) | ✗ | 15/02/17 |
SbTeI | COD | 1008205 | C2/m (12) | ✔ | 6 | 36 | 2 | 0.5672 | 0.849 | 0.000 | (0;000) | ✗ | 02/02/17 |
S | COD | 9008578 | R-3 (148) | ✔ | 6 | 36 | 1 | 2.1417 | 2.167 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr2Si | ICSD | 652618 | I4/mcm (140) | ✔ | 6 | 24 | 3 | 0.0 | 0.004 | 0.346 | (1;000) | ✗ | 27/01/17 |
ZrSiS | COD | 1527641 | P4/nmm (129) | ✔ | 6 | 28 | 3 | 0.0 | 0.040 | 0.037 | (0;001) | ✗ | 27/01/17 |
BaIF | COD | 9011175 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 3.635 | 3.635 | 0.000 | (0;000) | ✗ | 30/01/17 |
PtO2 | COD | 1008935 | Pnnm (58) | ✔ | 6 | 44 | 3 | 0.0 | 0.068 | 0.170 | (0;000) | ✗ | 27/01/17 |
BeI2 | COD | 1526852 | Ibam (72) | ✔ | 6 | 36 | 1 | 3.5201 | 3.752 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnSb2 | COD | 9015418 | P-4n2 (118) | ✗ | 6 | 44 | 3 | 0.0 | 0.012 | 0.273 | (0;011) | ✔ | 29/03/17 |
SrZnSi | ICSD | 86388 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.024 | 0.246 | (0;000) | ✗ | 27/01/17 |
RbCaSb | ICSD | 409178 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.5422 | 1.607 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiS | COD | 1011038 | R3m (160) | ✗ | 6 | 48 | 3 | 0.0 | 0.000 | 0.430 | ? | ✗ | 15/02/17 |
Ta2Si | ICSD | 652302 | I4/mcm (140) | ✔ | 6 | 60 | 3 | 0.0 | 0.075 | 0.341 | (1;000) | ✗ | 27/01/17 |
IBrO | COD | 9009193 | Pmmn (59) | ✔ | 6 | 40 | 2 | 0.0 | 0.022 | 0.474 | (0;000) | ✗ | 21/03/17 |
SrZnSn | ICSD | 54356 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.013 | 0.185 | (0;000) | ✗ | 27/01/17 |
ScNi4Au | ICSD | 612227 | F-43m (216) | ✗ | 6 | 62 | 3 | 0.0 | 0.004 | 0.942 | ? | ✗ | 15/02/17 |
WS2 | COD | 9009145 | P6_3/mmc (194) | ✔ | 6 | 80 | 2 | 0.9842 | 1.553 | 0.000 | (0;000) | ✗ | 11/04/17 |
Ba2As | COD | 9008352 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.017 | 0.368 | (0;111) | ✗ | 30/01/17 |
Ba2H3I | ICSD | 423520 | P-3m1 (164) | ✔ | 6 | 30 | 1 | 2.5457 | 2.546 | 0.000 | (0;000) | ✗ | 21/03/17 |
KClO4 | COD | 1010568 | F-43m (216) | ✗ | 6 | 40 | 1 | 1.6538 | 1.654 | 0.000 | (0;000) | ✗ | 15/02/17 |
RuO2 | COD | 9007541 | P4_2/mnm (136) | ✔ | 6 | 56 | 3 | 0.0 | 0.001 | 0.306 | (0;000) | ✗ | 27/01/17 |
ZrO2 | COD | 1525705 | P4_2/nmc (137) | ✔ | 6 | 32 | 3 | 2.5848 | 2.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
KC2IN2 | ICSD | 40370 | C2/m (12) | ✔ | 6 | 34 | 1 | 4.3089 | 4.378 | 0.000 | (0;000) | ✗ | 21/03/17 |
ZrSO | ICSD | 36111 | P4/nmm (129) | ✔ | 6 | 32 | 3 | 0.8081 | 0.808 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiBrO | ICSD | 240499 | Pmma (51) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.548 | (0;001) | ✗ | 02/02/17 |
BiIO | COD | 9009164 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 1.1644 | 1.228 | 0.000 | (0;000) | ✗ | 21/03/17 |
VO2 | COD | 4336391 | P4_2/mnm (136) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.875 | (0;000) | ✗ | 27/01/17 |
Ca2Ge | ICSD | 39157 | P6_3mc (186) | ✗ | 6 | 48 | 1 | 0.0 | 0.058 | 0.162 | (0;000) | ✔ | 15/02/17 |
ZrSi2 | COD | 1528853 | Cmcm (63) | ✔ | 6 | 24 | 3 | 0.0 | 0.014 | 0.331 | (1;110) | ✗ | 27/01/17 |
CsBi2 | ICSD | 58771 | Fd-3m (227) | ✔ | 6 | 78 | 3 | 0.0 | 0.000 | 0.599 | (0;000) | ✗ | 02/02/17 |
HgSBr | COD | 1531031 | P2_1/m (11) | ✔ | 6 | 50 | 1 | 0.0 | 0.000 | 0.690 | (0;011) | ✗ | 02/02/17 |
Sr2Sb | COD | 9008353 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.013 | 0.055 | (0;111) | ✗ | 02/02/17 |
ZrSi2 | COD | 1010265 | Cmcm (63) | ✔ | 6 | 24 | 3 | 0.0 | 0.009 | 0.697 | (1;110) | ✗ | 27/01/17 |
Pd2O | ICSD | 77651 | Pn-3m (224) | ✔ | 6 | 84 | 3 | 0.0 | 0.000 | 0.351 | (0;111) | ✗ | 27/01/17 |
TaN | ICSD | 76457 | P6/mmm (191) | ✔ | 6 | 54 | 3 | 0.0 | 0.015 | 0.696 | (0;001) | ✗ | 27/01/17 |
Ta2Se | ICSD | 65739 | P4/nmm (129) | ✔ | 6 | 64 | 2 | 0.0 | 0.026 | 0.233 | (0;000) | ✗ | 27/01/17 |
Zr | ICSD | 31668 | C2/c (15) | ✔ | 6 | 24 | 1 | 0.0 | 0.022 | 0.320 | (0;000) | ✗ | 02/02/17 |
CsTeAu | COD | 1510107 | Pmma (51) | ✔ | 6 | 52 | 2 | 1.0182 | 1.018 | 0.000 | (0;000) | ✗ | 02/02/17 |
Se | COD | 9013138 | R-3 (148) | ✔ | 6 | 36 | 1 | 1.2105 | 1.351 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbCaAs | ICSD | 409177 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.3437 | 1.450 | 0.000 | (0;000) | ✗ | 30/01/17 |
IClO | COD | 9009192 | Pmmn (59) | ✔ | 6 | 40 | 2 | 0.0 | 0.054 | 0.575 | (0;000) | ✗ | 22/03/17 |
TlClO4 | COD | 1010570 | F-43m (216) | ✗ | 6 | 44 | 1 | 1.3448 | 1.345 | 0.000 | (0;000) | ✗ | 15/02/17 |
Sb2Os | COD | 9012562 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.3674 | 0.980 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrSiSe | COD | 9008350 | P4/nmm (129) | ✔ | 6 | 28 | 3 | 0.0 | 0.018 | 0.063 | (0;001) | ✗ | 27/01/17 |
SrSi2 | COD | 1527358 | I4_1/amd (141) | ✔ | 6 | 36 | 3 | 0.0 | 0.014 | 0.249 | (1;111) | ✗ | 27/01/17 |
Re2N | ICSD | 169887 | P6_3/mmc (194) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.966 | (0;000) | ✗ | 27/01/17 |
YCI | ICSD | 400298 | C2/m (12) | ✔ | 6 | 44 | 2 | 0.0 | 0.024 | 0.512 | (0;000) | ✗ | 22/03/17 |
PI2 | COD | 2004493 | P-1 (2) | ✔ | 6 | 38 | 1 | 1.551 | 1.551 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrNi4Sn | COD | 1523277 | F-43m (216) | ✗ | 6 | 58 | 3 | 0.0 | 0.009 | 0.298 | (0;000) | ✔ | 29/03/17 |
ZrTiSe4 | COD | 1523424 | P2/m (10) | ✔ | 6 | 40 | 2 | 0.0 | 0.022 | 0.151 | (0;010) | ✗ | 27/01/17 |
PbI2 | ICSD | 108914 | R-3m (166) | ✔ | 6 | 56 | 1 | 1.4435 | 1.728 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiSe2 | ICSD | 24592 | Ibam (72) | ✔ | 6 | 32 | 1 | 2.1117 | 2.277 | 0.000 | (0;000) | ✗ | 27/01/17 |
KHgSb | ICSD | 56201 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.2395 | 0.325 | 0.000 | (1;110) | ✗ | 02/02/17 |