▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PIrSe | ICSD | 640901 | P2_13 (198) | ✗ | 12 | 112 | 3 | 1.6034 | 1.909 | 0.000 | (0;000) | ✗ | 15/02/17 |
CsSb | COD | 7221397 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.5327 | 0.536 | 0.000 | (0;000) | ✗ | 22/03/17 |
BaZr(BO3)2 | ICSD | 95527 | R3c (161) | ✗ | 20 | 112 | 2 | 4.0582 | 4.058 | 0.000 | (0;000) | ✗ | 21/03/17 |
SiP2O7 | ICSD | 75116 | P6_3 (173) | ✗ | 20 | 112 | 3 | 5.2461 | 5.246 | 0.000 | (0;000) | ✗ | 29/03/17 |
Fe3C | COD | 5910001 | P-1 (2) | ✔ | 16 | 112 | 3 | 0.0 | 0.012 | 0.187 | (1;011) | ✗ | 04/08/17 |
ZrSb2 | ICSD | 651784 | Pnnm (58) | ✔ | 24 | 112 | 3 | 0.0 | 0.013 | 0.292 | (0;000) | ✗ | 04/08/17 |
SbIrSe | ICSD | 640966 | P2_13 (198) | ✗ | 12 | 112 | 3 | 3.5112 | 1.511 | 1.000 | (0;000) | ✗ | 29/03/17 |
Ag2Se | COD | 1509714 | P222_1 (17) | ✗ | 12 | 112 | 3 | 0.0 | 0.007 | 0.173 | ? | ✗ | 04/08/17 |
HS2N(O2F)2 | ICSD | 165234 | P2_1 (4) | ✗ | 20 | 112 | 1 | 6.6299 | 6.731 | 0.000 | (0;000) | ✗ | 22/03/17 |
LiInSe2 | ICSD | 639900 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 1.9573 | 1.958 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sc4C3 | ICSD | 42760 | I-43d (220) | ✗ | 14 | 112 | 3 | 0.3306 | 0.331 | 0.000 | (0;000) | ✔ | 21/03/17 |
LiP5 | ICSD | 88710 | Pna2_1 (33) | ✗ | 24 | 112 | 1 | 1.2082 | 1.218 | 0.000 | (0;000) | ✗ | 04/08/17 |
In2Te5 | ICSD | 640615 | Cc (9) | ✗ | 14 | 112 | 2 | 0.8149 | 0.931 | 0.000 | (0;000) | ✗ | 29/03/17 |
Li2CdSnS4 | COD | 4302974 | Pmn2_1 (31) | ✗ | 16 | 112 | 2 | 2.0977 | 2.098 | 0.000 | (0;000) | ✗ | 22/03/17 |
Ba4Zr3S10 | ICSD | 72656 | I4/mmm (139) | ✔ | 17 | 112 | 2 | 0.1499 | 0.382 | 0.000 | (0;000) | ✗ | 21/03/17 |
LiIO3 | COD | 1529780 | Pna2_1 (33) | ✗ | 20 | 112 | 1 | 2.9993 | 3.003 | 0.000 | (0;000) | ✗ | 29/03/17 |
Mg5H8O9 | COD | 1531175 | P-3m1 (164) | ✔ | 22 | 112 | 1 | 3.7257 | 3.726 | 0.000 | (0;000) | ✗ | 04/08/17 |
V2O5 | COD | 1011225 | Pmn2_1 (31) | ✗ | 14 | 112 | 2 | 1.4532 | 1.614 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiYF2 | COD | 2001129 | I4_1/a (88) | ✔ | 16 | 112 | 3 | 0.0 | 0.010 | 0.659 | (1;111) | ✗ | 22/03/17 |
GeAs2 | ICSD | 610601 | Pbam (55) | ✔ | 24 | 112 | 2 | 0.5739 | 0.682 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbSb | COD | 7221396 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.5751 | 0.578 | 0.000 | (0;000) | ✗ | 29/03/17 |
KAs | COD | 8100816 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.7419 | 0.743 | 0.000 | (0;000) | ✗ | 21/03/17 |
CsSbCl6 | ICSD | 155691 | Cc (9) | ✗ | 16 | 112 | 1 | 2.3084 | 2.309 | 0.000 | (0;000) | ✗ | 22/03/17 |
NaAs | ICSD | 182158 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.5339 | 0.608 | 0.000 | (0;000) | ✗ | 21/03/17 |
Hf3N4 | ICSD | 97997 | I-43d (220) | ✗ | 14 | 112 | 3 | 0.9972 | 0.999 | 0.000 | (0;000) | ✗ | 15/02/17 |
NaSbO7 | COD | 9014085 | P6_3mc (186) | ✗ | 18 | 112 | 1 | 0.0 | 0.002 | 0.723 | ? | ✗ | 29/03/17 |
SbAsO3 | COD | 9015432 | P2_1/c (14) | ✔ | 20 | 112 | 2 | 0.0 | 3.554 | 1.000 | (0;000) | ✗ | 21/03/17 |
PbCN2 | COD | 2310547 | Pna2_1 (33) | ✗ | 16 | 112 | 2 | 1.6961 | 1.912 | 0.000 | (0;000) | ✗ | 22/03/17 |
RbAs | ICSD | 412594 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.67 | 0.670 | 0.000 | (0;000) | ✗ | 21/03/17 |
Li2ZnSnS4 | ICSD | 419595 | Pc (7) | ✗ | 16 | 112 | 3 | 2.3813 | 2.381 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sr(C2N3)2 | ICSD | 411363 | C2/c (15) | ✔ | 22 | 112 | 1 | 4.6628 | 4.672 | 0.000 | (0;000) | ✗ | 04/08/17 |
As2O3 | COD | 4513294 | P2_1 (4) | ✗ | 20 | 112 | 3 | 2.5456 | 2.777 | 0.000 | (0;000) | ✗ | 21/03/17 |
K3B6ClO10 | ICSD | 262005 | R3m (160) | ✗ | 20 | 112 | 3 | 5.5212 | 5.523 | 0.000 | (0;000) | ✗ | 21/03/17 |
PRhSe | ICSD | 648002 | P2_13 (198) | ✗ | 12 | 112 | 3 | 1.0753 | 1.349 | 0.000 | (0;000) | ✗ | 15/02/17 |
K3B6BrO10 | COD | 7205749 | R3m (160) | ✗ | 20 | 112 | 3 | 5.2393 | 5.245 | 0.000 | (0;000) | ✗ | 21/03/17 |
CsTaGeS5 | ICSD | 417875 | P-1 (2) | ✔ | 16 | 112 | 1 | 0.7968 | 0.814 | 0.000 | (0;000) | ✗ | 22/03/17 |
NaP | COD | 1528277 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.8664 | 0.916 | 0.000 | (0;000) | ✗ | 29/03/17 |
Al2Ge2O7 | COD | 1001676 | C2/c (15) | ✔ | 22 | 112 | 3 | 3.942 | 3.942 | 0.000 | (0;000) | ✗ | 04/08/17 |
W | COD | 9008583 | Pm-3n (223) | ✔ | 8 | 112 | 3 | 0.0 | 0.008 | 1.000 | (1;000) | ✗ | 29/03/17 |
Na3PS4 | ICSD | 72860 | P-42_1c (114) | ✗ | 16 | 112 | 1 | 2.3398 | 2.340 | 0.000 | (0;000) | ✗ | 29/03/17 |
LiGaO2 | COD | 1526802 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 3.4861 | 3.487 | 0.000 | (0;000) | ✗ | 15/02/17 |
Na2WO4 | COD | 2240656 | Fd-3m (227) | ✔ | 14 | 112 | 1 | 0.0 | 0.120 | 1.000 | (1;111) | ✗ | 29/03/17 |
KSb | COD | 9016016 | P2_1/c (14) | ✔ | 16 | 112 | 3 | 0.0 | 0.727 | 1.000 | (0;000) | ✗ | 02/02/17 |
Y2MgSe4 | ICSD | 76052 | Fd-3m (227) | ✔ | 14 | 112 | 3 | 1.0839 | 1.084 | 0.000 | (0;000) | ✗ | 02/02/17 |
Fe3C | ICSD | 167667 | Pnma (62) | ✔ | 16 | 112 | 3 | 0.0 | 0.003 | 0.486 | (0;000) | ✗ | 27/01/17 |
Na2MoO4 | COD | 2240655 | Fd-3m (227) | ✔ | 14 | 112 | 1 | 4.4779 | 4.496 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sn2IF3 | ICSD | 38268 | Cmcm (63) | ✔ | 12 | 112 | 1 | 2.3121 | 2.457 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Mo(SO)2 | ICSD | 423982 | C2/c (15) | ✔ | 14 | 112 | 1 | 2.3707 | 2.532 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc2SiNi3 | ICSD | 646484 | P6_3/mmc (194) | ✔ | 12 | 112 | 3 | 0.0 | 0.005 | 0.537 | (1;000) | ✗ | 27/01/17 |
SnMo3 | COD | 1521796 | Pm-3n (223) | ✔ | 8 | 112 | 3 | 0.0 | 0.000 | 0.805 | (0;111) | ✗ | 27/01/17 |