▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba(NiP)2 | ICSD | 85408 | I4/mmm (139) | ✔ | 5 | 40 | 2 | 0.0 | 0.013 | 0.833 | (1;111) | ✗ | 05/01/17 |
Ca(GeAu)2 | COD | 7209401 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.093 | 0.745 | (0;000) | ✗ | 05/01/17 |
LiZnSb | ICSD | 642350 | P6_3mc (186) | ✗ | 6 | 40 | 3 | 0.131 | 0.153 | 0.000 | (0;000) | ✔ | 06/10/16 |
LiZnSb | ICSD | 42064 | P6_3mc (186) | ✗ | 6 | 40 | 3 | 0.131 | 0.153 | 0.000 | (0;000) | ✔ | 06/10/16 |
SnS | ICSD | 100672 | Ccmm (63) | ✔ | 4 | 40 | 3 | 0.5955 | 0.596 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrTiSe4 | COD | 1523424 | P2/m (10) | ✔ | 6 | 40 | 2 | 0.0 | 0.022 | 0.151 | (0;010) | ✗ | 27/01/17 |
Ca(MgAs)2 | COD | 7221199 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 1.1991 | 1.610 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaSb2 | COD | 8100903 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.056 | 0.102 | (0;010) | ✗ | 02/02/17 |
KNiF3 | COD | 5910032 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 0.0 | 0.000 | 0.596 | (0;000) | ✗ | 27/01/17 |
NaMgF3 | COD | 9003812 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 6.1969 | 6.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
KMgF3 | COD | 9006363 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 7.3144 | 7.623 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbMgF3 | ICSD | 49585 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 7.6344 | 7.759 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnS | ICSD | 79374 | C2me (39) | ✗ | 4 | 40 | 2 | 1.0723 | 1.072 | 0.000 | (0;000) | ✗ | 06/10/16 |
SnS | ICSD | 67442 | Cm2e (39) | ✗ | 4 | 40 | 2 | 1.0017 | 1.005 | 0.000 | (0;000) | ✗ | 06/10/16 |
KNbO3 | ICSD | 9534 | R3m (160) | ✗ | 5 | 40 | 3 | 2.4592 | 3.318 | 0.000 | (0;000) | ✗ | 06/10/16 |
YAl3 | ICSD | 58220 | P6_3/mmc (194) | ✔ | 8 | 40 | 3 | 0.0 | 0.010 | 0.518 | (1;000) | ✗ | 05/01/17 |
KNbO3 | ICSD | 9533 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.0831 | 2.916 | 0.000 | (0;000) | ✗ | 06/10/16 |
KNbO3 | ICSD | 190923 | R3m (160) | ✗ | 5 | 40 | 3 | 2.4036 | 3.267 | 0.000 | (0;000) | ✗ | 06/10/16 |
KNbO3 | ICSD | 190922 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.1224 | 2.960 | 0.000 | (0;000) | ✗ | 06/10/16 |
KNbO3 | ICSD | 14363 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.0944 | 2.921 | 0.000 | (0;000) | ✗ | 06/10/16 |
InCl | ICSD | 2432 | Ccm2_1 (36) | ✗ | 4 | 40 | 3 | 1.4416 | 1.525 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | COD | 5910149 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 1.8554 | 1.915 | 0.000 | (0;000) | ✗ | 05/01/17 |
K3BrO | ICSD | 33920 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.9272 | 0.927 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbS | ICSD | 183240 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.2082 | 1.208 | 0.000 | (0;000) | ✗ | 27/01/17 |
InCl | ICSD | 2431 | Cc2m (40) | ✗ | 4 | 40 | 1 | 1.4421 | 1.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnAlCu2 | COD | 5910083 | Fm-3m (225) | ✔ | 4 | 40 | 3 | 0.0 | 0.031 | 0.192 | (1;000) | ✗ | 05/01/17 |
Fe2C | ICSD | 87128 | Pnnm (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.005 | 0.565 | (0;110) | ✗ | 27/01/17 |
YZrSb | ICSD | 107067 | I4/mmm (139) | ✔ | 6 | 40 | 3 | 0.0 | 0.006 | 0.722 | (0;111) | ✗ | 27/01/17 |
TlI | COD | 9008981 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.4934 | 1.671 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba(NiAs)2 | ICSD | 609856 | I4/mmm (139) | ✔ | 5 | 40 | 2 | 0.0 | 0.003 | 0.647 | (1;111) | ✗ | 05/01/17 |
Ba(MgAs)2 | ICSD | 30916 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.9654 | 1.350 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca(SiCu)2 | ICSD | 619238 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.025 | 0.779 | (0;000) | ✗ | 27/01/17 |
PbSe | ICSD | 74334 | F2mm (42) | ✗ | 4 | 40 | 2 | 0.9339 | 0.934 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbO | ICSD | 62846 | P4/nmm (129) | ✔ | 4 | 40 | 2 | 1.1693 | 2.163 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbS | ICSD | 68712 | C2 (5) | ✗ | 4 | 40 | 2 | 1.0591 | 1.094 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbS | ICSD | 68701 | Cm2e (39) | ✗ | 4 | 40 | 2 | 1.0016 | 1.003 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba(MgP)2 | ICSD | 30914 | P-3m1 (164) | ✔ | 5 | 40 | 1 | 1.1281 | 1.727 | 0.000 | (0;000) | ✗ | 05/01/17 |
PbS | ICSD | 183255 | P6_3mc (186) | ✗ | 4 | 40 | 2 | 0.8123 | 1.012 | 0.000 | (0;000) | ✗ | 06/10/16 |
NiSb2 | ICSD | 41728 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.107 | 0.514 | (1;000) | ✗ | 06/10/16 |
Ca(CuGe)2 | ICSD | 619230 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.030 | 0.787 | (0;000) | ✗ | 27/01/17 |
Ba(MgSb)2 | COD | 7221202 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.6084 | 1.317 | 0.000 | (0;000) | ✗ | 05/01/17 |
MnAs | COD | 9008898 | P6_3/mmc (194) | ✔ | 4 | 40 | 3 | 0.0 | 0.000 | 0.336 | (1;000) | ✗ | 05/01/17 |
KCaF3 | ICSD | 154074 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 6.2019 | 6.356 | 0.000 | (0;000) | ✗ | 27/01/17 |
PtN2 | ICSD | 157940 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.4621 | 0.732 | 0.000 | (0;000) | ✗ | 06/10/16 |
PdN2 | ICSD | 191244 | Pnnm (58) | ✔ | 6 | 40 | 2 | 0.0 | 0.013 | 0.578 | (0;000) | ✗ | 06/10/16 |
OsO4 | ICSD | 24672 | C2 (5) | ✗ | 5 | 40 | 1 | 4.2187 | 4.251 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaLi2Si | COD | 7221325 | Pmmn (59) | ✔ | 8 | 40 | 1 | 0.0 | 0.011 | 0.141 | (0;000) | ✗ | 05/01/17 |
KTaO3 | COD | 5910018 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 2.0924 | 2.703 | 0.000 | (0;000) | ✗ | 27/01/17 |
InBr | COD | 9008982 | Cmcm (63) | ✔ | 4 | 40 | 3 | 1.3219 | 1.469 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaSb2 | ICSD | 409517 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.056 | 0.102 | (0;001) | ✔ | 04/10/16 |