| ▹ Formula |
▹ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▹ dim |
▹ gap |
▹ dir. gap |
▴ met. |
▹ ν |
wcc |
▹ updated |
| CuI |
ICSD |
24772 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.9338 |
0.934 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| LaBr3 |
ICSD |
31581 |
P2_1/m (11) |
✔ |
8 |
48 |
3 |
3.1889 |
3.189 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AsI3 |
ICSD |
23003 |
R-3 (148) |
✔ |
8 |
52 |
1 |
1.9506 |
2.019 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CuI |
ICSD |
84217 |
P3m1 (156) |
✗ |
4 |
36 |
2 |
1.3365 |
1.337 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| B6P |
ICSD |
615157 |
R-3m (166) |
✔ |
14 |
46 |
3 |
2.3732 |
2.493 |
0.000 |
(0;000) |
✗ |
05/01/17 |
| Ga2Ru |
ICSD |
635227 |
Fddd (70) |
✔ |
6 |
84 |
3 |
0.2122 |
0.894 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CuP2 |
ICSD |
35282 |
P2_1/c (14) |
✔ |
12 |
84 |
2 |
0.8655 |
0.866 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Na2AgAs |
ICSD |
49007 |
C222_1 (20) |
✗ |
8 |
68 |
1 |
0.6852 |
0.685 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BaTe3 |
ICSD |
36366 |
P-42_1m (113) |
✗ |
8 |
56 |
1 |
0.719 |
0.730 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AlAgS2 |
ICSD |
25356 |
P3m1 (156) |
✗ |
4 |
26 |
3 |
1.7772 |
1.844 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| FeAs2 |
ICSD |
41724 |
Pmnn (58) |
✔ |
6 |
36 |
3 |
0.2853 |
0.617 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Mg3As2 |
ICSD |
24485 |
Pn-3m (224) |
✔ |
10 |
80 |
3 |
0.7835 |
0.869 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MgF2 |
ICSD |
51242 |
Cm2m (38) |
✗ |
3 |
24 |
1 |
0.86 |
0.994 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| As2Os |
ICSD |
42610 |
Pmnn (58) |
✔ |
6 |
52 |
3 |
0.6535 |
1.171 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| As2Ru |
ICSD |
42578 |
Pmnn (58) |
✔ |
6 |
52 |
3 |
0.2439 |
0.936 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SbF3 |
ICSD |
16142 |
Cc2m (40) |
✗ |
8 |
52 |
3 |
4.4474 |
4.748 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GeF4 |
ICSD |
202558 |
I-43m (217) |
✗ |
5 |
32 |
1 |
6.2961 |
6.758 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SnSe |
ICSD |
100673 |
Ccmm (63) |
✔ |
4 |
40 |
2 |
0.2641 |
0.265 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BeO |
ICSD |
163467 |
F-43m (216) |
✗ |
2 |
10 |
1 |
6.9092 |
7.605 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SbI3 |
ICSD |
26082 |
R-3 (148) |
✔ |
8 |
52 |
2 |
1.7182 |
1.827 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| PdF4 |
ICSD |
1555 |
F2dd (43) |
✗ |
10 |
76 |
3 |
0.6264 |
0.669 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| LaI3 |
ICSD |
31596 |
Cmcm (63) |
✔ |
8 |
48 |
2 |
1.1147 |
1.359 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| PtF4 |
ICSD |
71579 |
F2dd (43) |
✗ |
10 |
76 |
3 |
1.3016 |
1.324 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BeO |
ICSD |
601160 |
P6_3mc (186) |
✗ |
4 |
20 |
1 |
7.4832 |
7.483 |
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 |
| Bi2Se3 |
ICSD |
60205 |
Pmcn (62) |
✔ |
20 |
112 |
2 |
0.5886 |
0.597 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| FeGe |
ICSD |
103492 |
P2_13 (198) |
✗ |
8 |
48 |
3 |
0.0653 |
0.087 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| AlCl3 |
ICSD |
39566 |
C2/m (12) |
✔ |
8 |
48 |
2 |
5.243 |
5.321 |
0.000 |
(0;000) |
✗ |
05/01/17 |
| BePo |
ICSD |
58730 |
F-43m (216) |
✗ |
2 |
20 |
3 |
0.8057 |
1.059 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2S3 |
ICSD |
201066 |
Pmcn (62) |
✔ |
20 |
112 |
2 |
0.9742 |
1.010 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| 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 |
| BCl3 |
ICSD |
24526 |
P2_1/m (11) |
✔ |
8 |
48 |
1 |
3.2389 |
3.347 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| FeS2 |
ICSD |
42726 |
P2nn (34) |
✗ |
6 |
40 |
3 |
0.7907 |
1.143 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BeSe |
ICSD |
183374 |
F-43m (216) |
✗ |
2 |
10 |
1 |
2.4499 |
4.314 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AlF3 |
ICSD |
30274 |
R32 (155) |
✗ |
8 |
48 |
3 |
7.2936 |
7.295 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| FeSi |
ICSD |
36188 |
P2_13 (198) |
✗ |
8 |
48 |
3 |
0.1202 |
0.156 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| BI3 |
ICSD |
173375 |
P2_1/m (11) |
✔ |
8 |
48 |
1 |
2.4262 |
2.516 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BeTe |
ICSD |
183375 |
F-43m (216) |
✗ |
2 |
10 |
1 |
1.572 |
3.253 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| K2AgBi |
ICSD |
1156 |
C222_1 (20) |
✗ |
8 |
68 |
1 |
0.6946 |
0.866 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BN |
ICSD |
162876 |
Pmnb (62) |
✔ |
8 |
32 |
3 |
5.9754 |
6.508 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SF6 |
ICSD |
214 |
Im-3m (229) |
✔ |
7 |
48 |
1 |
8.4913 |
8.491 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GaN |
ICSD |
156260 |
F-43m (216) |
✗ |
2 |
18 |
3 |
1.9043 |
1.904 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AgNO2 |
ICSD |
26750 |
Imm2 (44) |
✗ |
4 |
28 |
3 |
1.5341 |
1.989 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Be3N2 |
ICSD |
185490 |
R3m (160) |
✗ |
5 |
22 |
1 |
2.7756 |
3.816 |
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 |
| GaP |
ICSD |
103795 |
F-43m (216) |
✗ |
2 |
18 |
3 |
1.5678 |
1.791 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AlN |
ICSD |
181066 |
F-43m (216) |
✗ |
2 |
8 |
3 |
3.3052 |
4.020 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GaP |
ICSD |
190425 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
1.3812 |
1.457 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| FeP2 |
ICSD |
15027 |
Pmnn (58) |
✔ |
6 |
36 |
3 |
0.4006 |
0.861 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BaF2 |
ICSD |
41651 |
P6_3/mmc (194) |
✔ |
6 |
48 |
2 |
5.7976 |
6.002 |
0.000 |
(0;000) |
✗ |
05/01/17 |
| GaSb |
ICSD |
190414 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.3208 |
0.324 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| BiBr3 |
ICSD |
100294 |
C2/m (12) |
✔ |
8 |
72 |
2 |
2.0254 |
2.057 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BaO2 |
ICSD |
180398 |
Cmmm (65) |
✔ |
3 |
22 |
2 |
0.6441 |
1.164 |
0.000 |
(0;000) |
✗ |
05/01/17 |
| GaSe |
ICSD |
601159 |
P-6m2 (187) |
✗ |
8 |
76 |
2 |
1.0062 |
1.006 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BiF3 |
ICSD |
25567 |
P-43m (215) |
✗ |
16 |
104 |
3 |
2.8752 |
2.876 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GaSe |
ICSD |
73388 |
R3m (160) |
✗ |
4 |
38 |
2 |
1.036 |
1.036 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| InI |
ICSD |
55181 |
Cmcm (63) |
✔ |
4 |
40 |
3 |
0.7644 |
0.832 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ga2O3 |
ICSD |
166198 |
C2/m (12) |
✔ |
10 |
88 |
3 |
2.4727 |
2.475 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AlP |
ICSD |
190409 |
F-43m (216) |
✗ |
2 |
8 |
3 |
1.5188 |
3.480 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ga2Se3 |
ICSD |
35028 |
Cc (9) |
✗ |
10 |
88 |
3 |
1.0285 |
1.029 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2O3 |
ICSD |
168811 |
Fd-3m (227) |
✔ |
20 |
112 |
1 |
2.1934 |
2.260 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BiBr |
ICSD |
1560 |
C2/m (12) |
✔ |
16 |
96 |
2 |
0.3125 |
0.313 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BiBr3 |
ICSD |
100293 |
P2_1/c (14) |
✔ |
16 |
104 |
2 |
2.1184 |
2.183 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GeO2 |
ICSD |
16577 |
P3_221 (154) |
✗ |
9 |
48 |
3 |
3.7257 |
3.809 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2S3 |
ICSD |
153946 |
Pmnb (62) |
✔ |
20 |
112 |
2 |
0.9478 |
0.980 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BiF3 |
ICSD |
1269 |
Pbnm (62) |
✔ |
16 |
104 |
3 |
3.7081 |
3.709 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BiF3 |
ICSD |
24522 |
Fm-3m (225) |
✔ |
4 |
26 |
3 |
2.9096 |
3.077 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BiF5 |
ICSD |
25023 |
I4/m (87) |
✔ |
6 |
50 |
2 |
3.1288 |
3.527 |
0.000 |
(0;000) |
✗ |
05/01/17 |
| GeO2 |
ICSD |
23783 |
P4_12_12 (92) |
✗ |
12 |
64 |
3 |
3.2366 |
3.237 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BiI |
ICSD |
1558 |
C2/m (12) |
✔ |
16 |
96 |
1 |
0.1374 |
0.153 |
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 |
| BiI3 |
ICSD |
187304 |
P-31m (162) |
✔ |
8 |
72 |
2 |
1.0725 |
1.073 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| BiI3 |
ICSD |
187305 |
R-3 (148) |
✔ |
8 |
52 |
2 |
1.454 |
1.544 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BiI3 |
ICSD |
187607 |
P2_1/c (14) |
✔ |
16 |
104 |
2 |
0.6786 |
0.679 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GeS2 |
ICSD |
167194 |
I-42d (122) |
✗ |
6 |
32 |
3 |
2.3808 |
2.735 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GeSe2 |
ICSD |
50761 |
I-42d (122) |
✗ |
6 |
32 |
3 |
1.4346 |
1.788 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BiI3 |
ICSD |
56570 |
R-3 (148) |
✔ |
8 |
72 |
2 |
1.1573 |
1.189 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GeSe2 |
ICSD |
90956 |
I-4 (82) |
✗ |
6 |
32 |
3 |
0.9941 |
1.393 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2O3 |
ICSD |
168810 |
R3m (160) |
✗ |
10 |
56 |
2 |
2.2643 |
2.309 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GeSe2 |
ICSD |
90957 |
P-4 (81) |
✗ |
12 |
64 |
3 |
0.7241 |
0.727 |
0.000 |
(0;000) |
✔ |
10/10/16 |
| PtO2 |
ICSD |
202407 |
Pmnn (58) |
✔ |
6 |
44 |
3 |
0.4791 |
0.746 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GeTe |
ICSD |
159907 |
R3m (160) |
✗ |
2 |
10 |
3 |
0.3876 |
0.455 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| LaCl3 |
ICSD |
23146 |
P2_1/m (11) |
✔ |
8 |
48 |
3 |
4.3718 |
4.372 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2O3 |
ICSD |
168812 |
P-42_1c (114) |
✗ |
20 |
112 |
3 |
1.4533 |
1.453 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MgCl2 |
ICSD |
51247 |
P-1 (2) |
✔ |
6 |
48 |
3 |
2.4906 |
2.491 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2O3 |
ICSD |
169685 |
P31c (159) |
✗ |
20 |
112 |
3 |
1.2724 |
1.273 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| InBr |
ICSD |
23126 |
Ccmm (63) |
✔ |
4 |
40 |
3 |
1.3218 |
1.469 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CuH |
ICSD |
44859 |
P6_3mc (186) |
✗ |
4 |
24 |
3 |
0.5757 |
1.488 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MnP4 |
ICSD |
100786 |
P-1 (2) |
✔ |
10 |
70 |
3 |
0.3988 |
0.496 |
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 |
| GeO2 |
ICSD |
158598 |
Pmnn (58) |
✔ |
6 |
32 |
3 |
3.2329 |
3.286 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AlSb |
ICSD |
151218 |
F-43m (216) |
✗ |
2 |
8 |
3 |
0.9754 |
1.422 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2O3 |
ICSD |
15072 |
P2_1/c (14) |
✔ |
20 |
112 |
3 |
2.2283 |
2.259 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| HfS3 |
ICSD |
42074 |
P2_1/m (11) |
✔ |
8 |
60 |
2 |
1.1644 |
1.205 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| AlPO4 |
ICSD |
280773 |
P2_1 (4) |
✗ |
12 |
64 |
3 |
5.6822 |
5.682 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2O3 |
ICSD |
422451 |
P6_3mc (186) |
✗ |
20 |
112 |
3 |
1.424 |
1.583 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| FeS2 |
ICSD |
42415 |
Pmnn (58) |
✔ |
6 |
40 |
3 |
0.8069 |
1.148 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| HgI2 |
ICSD |
22242 |
Ccm2_1 (36) |
✗ |
6 |
52 |
2 |
1.8395 |
1.994 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BiTeCl |
ICSD |
79362 |
P6_3mc (186) |
✗ |
6 |
36 |
2 |
0.264 |
0.280 |
0.000 |
(0;000) |
✔ |
06/10/16 |
Plotting...
