▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CdSnP2 | ICSD | 22183 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.5533 | 0.553 | 0.000 | (0;000) | ✗ | 07/10/16 |
CdSnSb2 | ICSD | 44259 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.043 | 0.033 | (1;000) | ✔ | 07/10/16 |
ZnCdTe2 | ICSD | 181019 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.3456 | 0.346 | 0.000 | (0;000) | ✔ | 07/10/16 |
GaCuS2 | ICSD | 156786 | I-42d (122) | ✗ | 8 | 72 | 3 | 1.0348 | 1.035 | 0.000 | (0;000) | ✗ | 07/10/16 |
GaCuSe2 | ICSD | 247513 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.2787 | 0.279 | 0.000 | (0;000) | ✔ | 07/10/16 |
GaCuTe2 | ICSD | 28738 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.2411 | 0.241 | 0.000 | (0;000) | ✔ | 07/10/16 |
InCuS2 | ICSD | 186714 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.2824 | 0.282 | 0.000 | (0;000) | ✔ | 07/10/16 |
InCuSe2 | ICSD | 154405 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.018 | 0.011 | (1;000) | ✔ | 07/10/16 |
InCuTe2 | ICSD | 169048 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.018 | 0.004 | (1;000) | ✔ | 07/10/16 |
HfZn2 | COD | 7221109 | Fd-3m (227) | ✔ | 6 | 72 | 3 | 0.0 | 0.000 | 0.870 | (0;000) | ✗ | 27/01/17 |
TlCuS2 | ICSD | 28742 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.014 | 0.072 | (1;000) | ✔ | 07/10/16 |
TlCuSe2 | ICSD | 28743 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.014 | 0.004 | (1;000) | ✔ | 07/10/16 |
ZrSiNi | ICSD | 646693 | Pnma (62) | ✔ | 12 | 72 | 3 | 0.0 | 0.019 | 0.179 | (1;000) | ✗ | 27/01/17 |
RbZn4P3 | COD | 4326075 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.1514 | 0.151 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga4Bi3As | ICSD | 182810 | P-43m (215) | ✗ | 8 | 72 | 3 | 0.0 | 0.000 | 0.418 | (1;000) | ✔ | 06/10/16 |
Ga4BiAs3 | ICSD | 182808 | P-43m (215) | ✗ | 8 | 72 | 3 | 0.0 | 0.000 | 0.240 | (1;000) | ✔ | 06/10/16 |
CoNiAs | ICSD | 610094 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.345 | ? | ✗ | 06/10/16 |
ZnSnP2 | ICSD | 184466 | I-42d (122) | ✗ | 8 | 72 | 3 | 1.1304 | 1.130 | 0.000 | (0;000) | ✗ | 07/10/16 |
ZnSnSb2 | ICSD | 42669 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.007 | 0.020 | (1;000) | ✔ | 07/10/16 |
Sr2NiTeO6 | ICSD | 16225 | C2/m (12) | ✔ | 10 | 72 | 3 | 0.0 | 0.007 | 0.430 | (0;000) | ✗ | 27/01/17 |
MnCoSi | ICSD | 53006 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.006 | 0.761 | (0;000) | ✗ | 27/01/17 |
BiBr3 | ICSD | 100294 | C2/m (12) | ✔ | 8 | 72 | 2 | 2.0254 | 2.057 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdPdF6 | ICSD | 26166 | R-3 (148) | ✔ | 8 | 72 | 3 | 1.0151 | 1.046 | 0.000 | (0;000) | ✗ | 27/01/17 |
Pd3PbC | ICSD | 108178 | Pm-3m (221) | ✔ | 5 | 72 | 3 | 0.0 | 0.045 | 0.540 | (0;111) | ✗ | 27/01/17 |
NaSrAs | ICSD | 402448 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.8323 | 0.832 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cr(Te2Rh)2 | ICSD | 626579 | C2/m (12) | ✔ | 7 | 72 | 3 | 0.0 | 0.042 | 0.404 | (0;111) | ✗ | 27/01/17 |
GaAgS2 | ICSD | 92052 | Cc (9) | ✗ | 8 | 72 | 3 | 1.3645 | 1.365 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfGaAu | ICSD | 156265 | P-6m2 (187) | ✗ | 6 | 72 | 3 | 0.0 | 0.299 | 0.297 | (0;000) | ✔ | 06/10/16 |
SnPd3C | ICSD | 618636 | P4/mmm (123) | ✔ | 5 | 72 | 3 | 0.0 | 0.015 | 0.274 | (0;111) | ✗ | 27/01/17 |
BiI3 | ICSD | 187304 | P-31m (162) | ✔ | 8 | 72 | 2 | 1.0725 | 1.073 | 0.000 | (0;000) | ✗ | 02/02/17 |
YSnAu | ICSD | 415826 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.014 | 0.191 | (1;000) | ✔ | 28/10/16 |
BiI3 | ICSD | 56570 | R-3 (148) | ✔ | 8 | 72 | 2 | 1.1573 | 1.189 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbFeB | ICSD | 20298 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.914 | ? | ✗ | 06/10/16 |
NbFeB | ICSD | 614046 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.664 | ? | ✗ | 06/10/16 |
TaFeB | ICSD | 614205 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.688 | ? | ✗ | 06/10/16 |
BaAgBi | COD | 1509219 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.157 | 0.393 | (1;000) | ✗ | 05/01/17 |
BaAgBi | COD | 2200912 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.003 | 0.161 | (1;000) | ✗ | 05/01/17 |
CaAgBi | ICSD | 659377 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.014 | 0.193 | (1;000) | ✗ | 05/01/17 |
SrAgBi | COD | 1509243 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.010 | 0.147 | (1;000) | ✗ | 05/01/17 |
YCuSn | ICSD | 629300 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.003 | 0.348 | (1;000) | ✗ | 27/01/17 |
YP5 | ICSD | 409188 | P2_1/m (11) | ✔ | 12 | 72 | 2 | 0.0 | 0.731 | 0.053 | (0;000) | ✔ | 02/02/17 |
B2S2O9 | ICSD | 426544 | C2 (5) | ✗ | 13 | 72 | 2 | 7.109 | 7.305 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaAgO2 | COD | 1509345 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.6743 | 1.783 | 0.000 | (0;000) | ✗ | 05/01/17 |
InAgO2 | COD | 1509396 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.1911 | 0.864 | 0.000 | (0;000) | ✗ | 05/01/17 |
ScCuSn | ICSD | 629024 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.011 | 0.350 | (1;000) | ✗ | 27/01/17 |
BaNaBi | ICSD | 413810 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.0066 | 0.007 | 0.000 | (1;000) | ✔ | 06/10/16 |
AuI | COD | 9008986 | P4_2/ncm (138) | ✔ | 8 | 72 | 2 | 1.3722 | 1.708 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaAl2(SiO4)2 | ICSD | 188056 | P-3 (147) | ✔ | 13 | 72 | 3 | 0.3812 | 0.447 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaAl2(SiO4)2 | ICSD | 191252 | P-3 (147) | ✔ | 13 | 72 | 2 | 4.838 | 4.951 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZrSiPt | COD | 8103045 | Pnma (62) | ✔ | 12 | 72 | 3 | 0.0 | 0.030 | 0.081 | (1;000) | ✗ | 27/01/17 |
Cr(RhSe2)2 | ICSD | 626577 | C2/m (12) | ✔ | 7 | 72 | 3 | 0.0 | 0.013 | 0.349 | (0;111) | ✗ | 27/01/17 |
BaNaP | ICSD | 402227 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.8483 | 0.848 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlNF4 | COD | 9016185 | I4/mcm (140) | ✔ | 12 | 72 | 2 | 0.0 | 0.002 | 0.137 | (0;000) | ✗ | 05/01/17 |
NaAlH8(NF3)2 | COD | 2210090 | Fm-3m (225) | ✔ | 18 | 72 | 1 | 6.9624 | 6.962 | 0.000 | (0;000) | ✗ | 05/01/17 |
K2NaAlF6 | COD | 9009341 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 7.1867 | 7.187 | 0.000 | (0;000) | ✗ | 05/01/17 |
K3AlF6 | ICSD | 262078 | Fm-3m (225) | ✔ | 10 | 72 | 3 | 6.4532 | 6.453 | 0.000 | (0;000) | ✗ | 05/01/17 |
Na3AlF6 | COD | 9012285 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 5.8614 | 5.861 | 0.000 | (0;000) | ✗ | 05/01/17 |
Rb2NaAlF6 | ICSD | 290318 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 7.1159 | 7.116 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgV2O6 | COD | 1522587 | C2/m (12) | ✔ | 9 | 72 | 3 | 2.6583 | 2.689 | 0.000 | (0;000) | ✗ | 27/01/17 |
Tl2Pt | COD | 1524516 | I4/mcm (140) | ✔ | 6 | 72 | 3 | 0.0 | 0.093 | 0.738 | (1;000) | ✗ | 27/01/17 |
Ca2As2O7 | ICSD | 32602 | C2/m (12) | ✔ | 11 | 72 | 1 | 4.0716 | 4.136 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrLiAs | COD | 4335613 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.996 | 0.996 | 0.000 | (0;000) | ✗ | 30/01/17 |
SrGe(PO4)2 | ICSD | 423042 | C2/m (12) | ✔ | 12 | 72 | 2 | 4.4632 | 4.536 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg4H2O5 | COD | 1531161 | P-3m1 (164) | ✔ | 11 | 72 | 2 | 3.8834 | 3.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfAl2 | ICSD | 608088 | P6_3/mmc (194) | ✔ | 12 | 72 | 3 | 0.0 | 0.008 | 0.316 | (0;000) | ✗ | 30/01/17 |
Mg2As2O7 | COD | 1528705 | C2/m (12) | ✔ | 11 | 72 | 3 | 3.2513 | 3.251 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ni2As2O7 | ICSD | 69002 | C2/m (12) | ✔ | 11 | 72 | 3 | 0.0 | 0.019 | 0.427 | (0;001) | ✗ | 05/01/17 |
CsZn4As3 | COD | 4326066 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0 | 0.040 | 0.073 | (0;001) | ✗ | 05/01/17 |
RbZn4As3 | COD | 4326074 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0 | 0.021 | 0.003 | (0;001) | ✗ | 05/01/17 |
K2Se3 | ICSD | 1264 | Ccm2_1 (36) | ✗ | 10 | 72 | 1 | 0.7025 | 0.851 | 0.000 | (0;000) | ✗ | 06/10/16 |
InBiS3 | ICSD | 290195 | P2_1 (4) | ✗ | 10 | 72 | 3 | 0.8716 | 1.031 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2HfF6 | ICSD | 47244 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 6.1532 | 6.153 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgO | COD | 9012530 | Pnma (62) | ✔ | 8 | 72 | 3 | 1.1689 | 1.576 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr2Fe3Ge | ICSD | 53483 | P6_3/mmc (194) | ✔ | 12 | 72 | 3 | 0.0 | 0.001 | 0.465 | (0;000) | ✗ | 27/01/17 |
TiH8(NF3)2 | ICSD | 24834 | P-3m1 (164) | ✔ | 17 | 72 | 1 | 5.2286 | 5.235 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg(HO)2 | COD | 9003876 | P-3 (147) | ✔ | 15 | 72 | 2 | 5.0415 | 5.042 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr3(SiCu)4 | ICSD | 87200 | Immm (71) | ✔ | 11 | 72 | 3 | 0.0 | 0.006 | 0.540 | (0;111) | ✗ | 27/01/17 |
SbSBr | ICSD | 88587 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.6228 | 1.792 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsHg(NO2)3 | COD | 1010350 | Pm3 (200) | ✔ | 11 | 72 | 3 | 0.0 | 0.000 | 0.653 | (1;000) | ✗ | 27/01/17 |
Sr2MgTeO6 | ICSD | 290893 | C2/m (12) | ✔ | 10 | 72 | 3 | 2.8585 | 2.859 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2HfF6 | ICSD | 25599 | P-3m1 (164) | ✔ | 9 | 72 | 1 | 6.4633 | 6.463 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeSn2 | COD | 1524518 | I4/mcm (140) | ✔ | 6 | 72 | 3 | 0.0 | 0.010 | 0.417 | (0;000) | ✗ | 27/01/17 |
SrTl2 | COD | 1527561 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.007 | 0.086 | (0;000) | ✗ | 27/01/17 |
VAs | ICSD | 611554 | Pnma (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.003 | 0.186 | (0;000) | ✗ | 05/01/17 |
PbAu2 | COD | 1510457 | Fd-3m (227) | ✔ | 6 | 72 | 3 | 0.0 | 0.061 | 0.085 | (0;000) | ✗ | 05/01/17 |
Cs2HfF6 | ICSD | 25600 | P-3m1 (164) | ✔ | 9 | 72 | 1 | 6.6489 | 6.683 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaBiAu | COD | 1510590 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.026 | 0.361 | (1;000) | ✗ | 05/01/17 |
SrBiAu | COD | 1510602 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.002 | 0.237 | (0;000) | ✗ | 05/01/17 |
Ca2AuN | COD | 1510065 | Cmcm (63) | ✔ | 8 | 72 | 1 | 0.0 | 0.084 | 0.022 | (0;000) | ✗ | 05/01/17 |
AuCl | ICSD | 6052 | I4_1/amd (141) | ✔ | 8 | 72 | 3 | 1.1538 | 1.154 | 0.000 | (0;000) | ✗ | 05/01/17 |
CuSnAu | ICSD | 611768 | I4/mmm (139) | ✔ | 6 | 72 | 3 | 0.0 | 0.004 | 0.829 | (0;000) | ✗ | 05/01/17 |
GaAuO2 | COD | 1510152 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.0 | 1.214 | 0.114 | (0;000) | ✗ | 05/01/17 |
InAuO2 | COD | 1510192 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.0 | 0.536 | 0.147 | (0;000) | ✗ | 05/01/17 |
Sr2AuN | COD | 1510242 | Cmcm (63) | ✔ | 8 | 72 | 1 | 0.0 | 0.034 | 0.028 | (0;000) | ✗ | 05/01/17 |
RbHg(NO2)3 | COD | 1010349 | Pm3 (200) | ✔ | 11 | 72 | 3 | 0.0 | 0.000 | 0.787 | (1;000) | ✗ | 27/01/17 |
VAuS2 | COD | 1510284 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.0 | 0.553 | 0.073 | (0;000) | ✗ | 05/01/17 |
CaSnHg | ICSD | 602726 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.049 | 0.221 | (0;000) | ✔ | 28/10/16 |
Ba2Ca(BO3)2 | ICSD | 80429 | C2/m (12) | ✔ | 11 | 72 | 1 | 4.2772 | 4.277 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2Mg(BO3)2 | ICSD | 75986 | R-3m (166) | ✔ | 11 | 72 | 1 | 4.8916 | 4.892 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaB2F8 | COD | 2016138 | C2/m (12) | ✔ | 11 | 72 | 1 | 8.347 | 8.354 | 0.000 | (0;000) | ✗ | 05/01/17 |