| ▹ Formula |
▹ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▴ dim |
▹ gap |
▹ dir. gap |
▹ met. |
▹ ν |
wcc |
▹ updated |
| SrS3 |
ICSD |
23638 |
Cc2e (41) |
✗ |
8 |
56 |
1 |
1.0789 |
1.079 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SrSi |
ICSD |
160106 |
Cmcm (63) |
✔ |
4 |
28 |
1 |
0.0 |
0.012 |
0.165 |
(0;110) |
✗ |
06/10/16 |
| BaSb2 |
ICSD |
409517 |
P2_1/m (11) |
✔ |
6 |
40 |
1 |
0.0 |
0.056 |
0.102 |
(0;001) |
✔ |
04/10/16 |
| AsI3 |
ICSD |
23003 |
R-3 (148) |
✔ |
8 |
52 |
1 |
1.9506 |
2.019 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ag2S |
ICSD |
98452 |
P2_1/m (11) |
✔ |
6 |
56 |
1 |
0.0 |
0.020 |
0.267 |
(1;001) |
✗ |
06/10/16 |
| VCl5 |
ICSD |
425146 |
P-1 (2) |
✔ |
12 |
96 |
1 |
0.3098 |
0.388 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| CaAs3 |
ICSD |
193 |
P-1 (2) |
✔ |
8 |
50 |
1 |
0.0 |
0.060 |
0.008 |
(1;100) |
✗ |
06/10/16 |
| CaAu |
ICSD |
54978 |
Cmcm (63) |
✔ |
4 |
42 |
1 |
0.0 |
0.000 |
0.634 |
(0;000) |
✗ |
05/01/17 |
| AuCl2 |
ICSD |
201436 |
P-1 (2) |
✔ |
12 |
100 |
1 |
0.7861 |
1.208 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BBr3 |
ICSD |
173374 |
P2_1/m (11) |
✔ |
8 |
48 |
1 |
3.5823 |
3.889 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| NbI5 |
ICSD |
10457 |
P-1 (2) |
✔ |
12 |
96 |
1 |
0.0 |
0.048 |
0.113 |
(0;111) |
✗ |
06/10/16 |
| BaGe |
ICSD |
52688 |
Cmcm (63) |
✔ |
4 |
28 |
1 |
0.0 |
0.011 |
0.146 |
(0;110) |
✗ |
06/10/16 |
| BaIn |
ICSD |
414228 |
Cmcm (63) |
✔ |
8 |
92 |
1 |
0.0 |
0.011 |
0.250 |
(1;000) |
✗ |
02/02/17 |
| BaPb |
ICSD |
58664 |
Cmcm (63) |
✔ |
4 |
48 |
1 |
0.0 |
0.085 |
0.123 |
(0;110) |
✗ |
06/10/16 |
| BP |
ICSD |
615155 |
P6_3mc (186) |
✗ |
4 |
16 |
1 |
1.5643 |
1.691 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BaSn |
ICSD |
58678 |
Cmcm (63) |
✔ |
4 |
48 |
1 |
0.0 |
0.023 |
0.135 |
(0;110) |
✗ |
05/01/17 |
| Ba2Bi |
ICSD |
2141 |
I4/mmm (139) |
✔ |
6 |
70 |
1 |
0.0 |
0.014 |
0.226 |
(0;111) |
✗ |
02/02/17 |
| BF2 |
ICSD |
27867 |
P2_1/c (14) |
✔ |
12 |
68 |
1 |
5.0014 |
5.057 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BaN2 |
ICSD |
280681 |
C2/c (15) |
✔ |
6 |
40 |
1 |
0.0 |
0.007 |
0.652 |
(0;000) |
✔ |
06/10/16 |
| BaP3 |
ICSD |
23618 |
C2/m (12) |
✔ |
8 |
50 |
1 |
0.6198 |
0.781 |
0.000 |
(0;000) |
✗ |
05/01/17 |
| BaS2 |
ICSD |
2004 |
C2/c (15) |
✔ |
6 |
44 |
1 |
1.5522 |
1.591 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BaS3 |
ICSD |
23637 |
P-42_1m (113) |
✗ |
8 |
56 |
1 |
1.3893 |
1.418 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BaSe2 |
ICSD |
16358 |
C2/c (15) |
✔ |
6 |
44 |
1 |
1.009 |
1.076 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BaSe3 |
ICSD |
16359 |
P-42_1m (113) |
✗ |
8 |
56 |
1 |
0.9646 |
1.065 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BiI |
ICSD |
1559 |
C2/m (12) |
✔ |
8 |
48 |
1 |
0.139 |
0.161 |
0.000 |
(0;001) |
✗ |
06/10/16 |
| BaTe3 |
ICSD |
36366 |
P-42_1m (113) |
✗ |
8 |
56 |
1 |
0.719 |
0.730 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CaGa |
ICSD |
260641 |
Ccmm (63) |
✔ |
4 |
46 |
1 |
0.0 |
0.000 |
0.830 |
(0;000) |
✗ |
06/10/16 |
| BrF3 |
ICSD |
31689 |
Ccm2_1 (36) |
✗ |
8 |
56 |
1 |
2.3987 |
2.540 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CaGe |
ICSD |
185653 |
Cmcm (63) |
✔ |
4 |
28 |
1 |
0.0 |
0.031 |
0.197 |
(0;110) |
✗ |
06/10/16 |
| CaC2 |
ICSD |
290834 |
Cmcm (63) |
✔ |
6 |
36 |
1 |
0.0 |
0.051 |
0.065 |
(0;000) |
✗ |
06/10/16 |
| LiI |
ICSD |
414242 |
P6_3mc (186) |
✗ |
4 |
20 |
1 |
4.1367 |
4.137 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CaC2 |
ICSD |
66663 |
P-1 (2) |
✔ |
6 |
36 |
1 |
2.4633 |
3.084 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CaP3 |
ICSD |
74479 |
P-1 (2) |
✔ |
8 |
50 |
1 |
0.0 |
0.016 |
0.024 |
(1;010) |
✗ |
27/01/17 |
| WBr6 |
ICSD |
62048 |
R-3 (148) |
✔ |
7 |
56 |
1 |
0.6302 |
0.630 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| Bi8Te9 |
ICSD |
106330 |
R-3m (166) |
✔ |
17 |
94 |
1 |
0.0 |
0.033 |
0.669 |
(0;111) |
✗ |
06/10/16 |
| CO2 |
ICSD |
110776 |
Pnnm (58) |
✔ |
6 |
32 |
1 |
2.2578 |
3.149 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Sr5Bi3 |
ICSD |
41838 |
P6_3/mcm (193) |
✔ |
16 |
130 |
1 |
0.0 |
0.000 |
0.580 |
(1;000) |
✗ |
06/10/16 |
| Ag2S |
ICSD |
98453 |
P2_1 (4) |
✗ |
6 |
56 |
1 |
0.0 |
0.113 |
0.106 |
(1;000) |
✔ |
04/10/16 |
| GeF4 |
ICSD |
202558 |
I-43m (217) |
✗ |
5 |
32 |
1 |
6.2961 |
6.758 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CS2 |
ICSD |
15672 |
Cmce (64) |
✔ |
6 |
32 |
1 |
0.3788 |
0.877 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CaSi |
ICSD |
190659 |
Cmcm (63) |
✔ |
4 |
28 |
1 |
0.0 |
0.007 |
0.172 |
(1;000) |
✗ |
06/10/16 |
| SO2 |
ICSD |
24645 |
C2ce (41) |
✗ |
6 |
36 |
1 |
2.7868 |
3.412 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| InCl |
ICSD |
2431 |
Cc2m (40) |
✗ |
4 |
40 |
1 |
1.4421 |
1.528 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| PdCl2 |
ICSD |
421220 |
P2/m (10) |
✔ |
6 |
64 |
1 |
0.7541 |
1.005 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| GaCl3 |
ICSD |
413455 |
C2/m (12) |
✔ |
8 |
68 |
1 |
4.2652 |
4.266 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| CO2 |
ICSD |
188893 |
Cmce (64) |
✔ |
6 |
32 |
1 |
0.8836 |
1.332 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| MgF2 |
ICSD |
51242 |
Cm2m (38) |
✗ |
3 |
24 |
1 |
0.86 |
0.994 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| RuCl3 |
ICSD |
414041 |
Cmcm (63) |
✔ |
8 |
74 |
1 |
0.0 |
0.000 |
0.794 |
(0;110) |
✔ |
02/02/17 |
| CaBr2 |
ICSD |
14220 |
Pmnn (58) |
✔ |
6 |
48 |
1 |
4.4866 |
4.487 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| NbBr5 |
ICSD |
409917 |
P-1 (2) |
✔ |
12 |
96 |
1 |
0.1833 |
0.196 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiF4 |
ICSD |
14122 |
I-43m (217) |
✗ |
5 |
32 |
1 |
8.056 |
8.625 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BrCl |
ICSD |
424850 |
Cmc2_1 (36) |
✗ |
4 |
28 |
1 |
1.895 |
1.911 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiH8 |
ICSD |
169739 |
I-4m2 (119) |
✗ |
9 |
12 |
1 |
6.0135 |
6.275 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CSe2 |
ICSD |
60374 |
Cmce (64) |
✔ |
6 |
32 |
1 |
1.8396 |
2.057 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| Rb3Bi |
ICSD |
616995 |
Ccmm (63) |
✔ |
8 |
64 |
1 |
0.0 |
0.003 |
0.057 |
(0;000) |
✗ |
06/10/16 |
| BrF5 |
ICSD |
31690 |
Ccm2_1 (36) |
✗ |
12 |
84 |
1 |
4.0507 |
4.134 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| IBr |
ICSD |
22120 |
Cmc2_1 (36) |
✗ |
4 |
28 |
1 |
1.2772 |
1.287 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CaC2 |
ICSD |
74665 |
I4/mmm (139) |
✔ |
3 |
18 |
1 |
1.6401 |
2.615 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BaAs3 |
ICSD |
86402 |
C2/m (12) |
✔ |
8 |
50 |
1 |
0.0 |
0.032 |
0.224 |
(1;001) |
✔ |
30/01/17 |
| TiI3 |
ICSD |
422870 |
Cm2m (38) |
✗ |
8 |
66 |
1 |
0.0 |
0.009 |
0.345 |
(0;000) |
✔ |
06/10/16 |
| PdBr2 |
ICSD |
27443 |
C2/c (15) |
✔ |
6 |
64 |
1 |
0.509 |
0.945 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| SBr |
ICSD |
37020 |
Cc2e (41) |
✗ |
8 |
52 |
1 |
2.0962 |
2.254 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SeBr |
ICSD |
37019 |
Cc2e (41) |
✗ |
8 |
52 |
1 |
1.6226 |
1.760 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SnI4 |
ICSD |
18010 |
P-43m (215) |
✗ |
5 |
42 |
1 |
0.8791 |
0.882 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZrI3 |
ICSD |
74648 |
Cm2m (38) |
✗ |
8 |
66 |
1 |
0.0 |
0.085 |
0.322 |
(0;000) |
✔ |
06/10/16 |
| Ca3Zn |
ICSD |
184359 |
Cmcm (63) |
✔ |
8 |
84 |
1 |
0.0 |
0.002 |
0.471 |
(1;110) |
✗ |
02/02/17 |
| RuBr3 |
ICSD |
28119 |
Cm2m (38) |
✗ |
8 |
74 |
1 |
0.0 |
0.064 |
0.330 |
(0;000) |
✔ |
06/10/16 |
| CaGe2 |
ICSD |
185655 |
P6_3mc (186) |
✗ |
6 |
36 |
1 |
0.0 |
0.071 |
0.116 |
(1;000) |
✔ |
04/10/16 |
| PdCl2 |
ICSD |
30209 |
Pmnn (58) |
✔ |
6 |
48 |
1 |
0.7678 |
1.190 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| PtCl2 |
ICSD |
44512 |
Pnnm (58) |
✔ |
6 |
48 |
1 |
0.946 |
1.300 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| CF4 |
ICSD |
2848 |
C2/c (15) |
✔ |
10 |
64 |
1 |
9.4116 |
9.472 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| KSb2 |
ICSD |
80945 |
C2/m (12) |
✔ |
6 |
38 |
1 |
0.1801 |
0.569 |
0.000 |
(0;000) |
✔ |
02/02/17 |
| Li2Si |
ICSD |
24146 |
C2/m (12) |
✔ |
6 |
20 |
1 |
0.0 |
0.011 |
0.500 |
(1;001) |
✔ |
27/01/17 |
| Li2S |
ICSD |
91283 |
P2_1nb (33) |
✗ |
12 |
48 |
1 |
2.808 |
3.650 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ClF |
ICSD |
406442 |
P2_1/c (14) |
✔ |
8 |
56 |
1 |
2.4667 |
2.494 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| CaSb2 |
ICSD |
862 |
P2_1/m (11) |
✔ |
6 |
40 |
1 |
0.0 |
0.070 |
0.251 |
(1;011) |
✔ |
27/01/17 |
| SrSb2 |
ICSD |
52307 |
P2_1/m (11) |
✔ |
6 |
40 |
1 |
0.0 |
0.140 |
0.143 |
(0;010) |
✔ |
27/01/17 |
| ICl3 |
ICSD |
24714 |
P-1 (2) |
✔ |
8 |
56 |
1 |
1.5447 |
1.545 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SrP3 |
ICSD |
96543 |
C2/m (12) |
✔ |
8 |
50 |
1 |
0.0 |
0.036 |
0.065 |
(1;001) |
✔ |
27/01/17 |
| NO |
ICSD |
27871 |
P2_1/c (14) |
✔ |
8 |
44 |
1 |
0.0 |
0.002 |
0.048 |
(0;010) |
✔ |
27/01/17 |
| CO |
ICSD |
26962 |
P2_13 (198) |
✗ |
8 |
40 |
1 |
6.4576 |
6.458 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| NO2 |
ICSD |
28331 |
P2_1/c (14) |
✔ |
12 |
68 |
1 |
2.5717 |
2.624 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| CO2 |
ICSD |
188894 |
P4_12_12 (92) |
✗ |
12 |
64 |
1 |
2.6623 |
3.604 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SrAs3 |
ICSD |
41831 |
C2/m (12) |
✔ |
8 |
50 |
1 |
0.0 |
0.043 |
0.272 |
(1;001) |
✔ |
05/01/17 |
| N3Cl |
ICSD |
424502 |
Cmc2_1 (36) |
✗ |
8 |
44 |
1 |
2.3446 |
2.370 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Tl2O |
ICSD |
77699 |
C2/m (12) |
✔ |
6 |
64 |
1 |
0.402 |
0.482 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| Sr2Bi |
ICSD |
41836 |
I4/mmm (139) |
✔ |
6 |
50 |
1 |
0.0 |
0.035 |
0.055 |
(0;111) |
✗ |
06/10/16 |
| Li3Bi |
ICSD |
58797 |
Fm-3m (225) |
✔ |
4 |
24 |
1 |
0.0 |
0.403 |
0.105 |
(0;000) |
✗ |
05/01/17 |
| SrGe |
ICSD |
43099 |
Cmcm (63) |
✔ |
4 |
28 |
1 |
0.0 |
0.034 |
0.168 |
(0;110) |
✗ |
06/10/16 |
| HBr |
ICSD |
28842 |
Fmmm (69) |
✔ |
2 |
8 |
1 |
0.0 |
0.014 |
0.282 |
(0;000) |
✗ |
06/10/16 |
| Ca2Sb |
ICSD |
154 |
I4mm (107) |
✗ |
6 |
50 |
1 |
0.0 |
0.091 |
0.055 |
(0;000) |
✔ |
06/10/16 |
| RbSb2 |
ICSD |
419402 |
C2/m (12) |
✔ |
6 |
38 |
1 |
0.3062 |
0.713 |
0.000 |
(0;000) |
✔ |
02/02/17 |
| CaAg |
ICSD |
57352 |
Ccmm (63) |
✔ |
4 |
42 |
1 |
0.0 |
0.000 |
0.621 |
(0;110) |
✗ |
06/10/16 |
| K3Bi |
ICSD |
26885 |
Ccmm (63) |
✔ |
8 |
84 |
1 |
0.0 |
0.006 |
0.037 |
(0;000) |
✗ |
06/10/16 |
| As2Se3 |
ICSD |
611373 |
C2/m (12) |
✔ |
10 |
56 |
1 |
0.5143 |
0.533 |
0.000 |
(0;000) |
✗ |
30/01/17 |
| BaC2 |
ICSD |
88102 |
C2/c (15) |
✔ |
6 |
36 |
1 |
1.9008 |
2.015 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| CaC2 |
ICSD |
24074 |
C2/c (15) |
✔ |
6 |
36 |
1 |
2.3901 |
2.972 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CaC2 |
ICSD |
290833 |
C2/m (12) |
✔ |
6 |
36 |
1 |
2.378 |
2.794 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Na3Bi |
ICSD |
26881 |
Ccmm (63) |
✔ |
8 |
84 |
1 |
0.0 |
0.029 |
0.008 |
(1;000) |
✗ |
06/10/16 |
| Be5Pt |
ICSD |
616395 |
F-43m (216) |
✗ |
6 |
30 |
1 |
0.0 |
0.584 |
0.071 |
(0;000) |
✔ |
06/10/16 |
Plotting...
