| ▹ Formula |
▹ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▹ dim |
▹ gap |
▹ dir. gap |
▴ met. |
▹ ν |
wcc |
▹ updated |
| HgO |
ICSD |
639125 |
P3_221 (154) |
✗ |
6 |
54 |
3 |
1.4576 |
1.628 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| HgO2 |
ICSD |
48214 |
C2/m (12) |
✔ |
3 |
24 |
3 |
0.8828 |
1.430 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Al2O3 |
ICSD |
169722 |
C2/c (15) |
✔ |
10 |
48 |
3 |
9.3608 |
9.361 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| HgS |
ICSD |
169614 |
P3_221 (154) |
✗ |
6 |
54 |
3 |
1.5136 |
1.570 |
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 |
| AuCl2 |
ICSD |
201436 |
P-1 (2) |
✔ |
12 |
100 |
1 |
0.7861 |
1.208 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| HgSe |
ICSD |
639202 |
P3_221 (154) |
✗ |
6 |
54 |
3 |
0.6513 |
0.710 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CuBr |
ICSD |
23989 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.3072 |
0.310 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| HgTe |
ICSD |
162603 |
P3_121 (152) |
✗ |
6 |
54 |
0 |
0.1243 |
0.414 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| CuBr |
ICSD |
30091 |
P6_3/mmc (194) |
✔ |
4 |
36 |
3 |
0.4343 |
0.434 |
0.000 |
(0;000) |
✔ |
27/01/17 |
| LiI |
ICSD |
414242 |
P6_3mc (186) |
✗ |
4 |
20 |
1 |
4.1367 |
4.137 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TeI |
ICSD |
108 |
C2/m (12) |
✔ |
8 |
52 |
2 |
0.4247 |
0.727 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| PbI2 |
ICSD |
24263 |
P6_3mc (186) |
✗ |
6 |
56 |
2 |
1.4242 |
1.424 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| PI3 |
ICSD |
311 |
P2_1 (4) |
✗ |
8 |
52 |
1 |
1.8955 |
1.899 |
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 |
| Al2Se3 |
ICSD |
14373 |
Cc (9) |
✗ |
10 |
48 |
3 |
1.5341 |
1.554 |
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 |
| CdBr2 |
ICSD |
25782 |
P6_3mc (186) |
✗ |
6 |
52 |
2 |
2.6943 |
2.694 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| HgBr2 |
ICSD |
151889 |
P3 (143) |
✗ |
9 |
78 |
2 |
1.0032 |
1.272 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| InP |
ICSD |
165466 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.3939 |
0.394 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| InP |
ICSD |
180911 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.5486 |
0.549 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| HgBr2 |
ICSD |
36158 |
Ccm2_1 (36) |
✗ |
6 |
52 |
2 |
2.1612 |
2.218 |
0.000 |
(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 |
| BAs |
ICSD |
181292 |
F-43m (216) |
✗ |
2 |
8 |
3 |
1.0744 |
3.121 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SBr |
ICSD |
37020 |
Cc2e (41) |
✗ |
8 |
52 |
1 |
2.0962 |
2.254 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| InSe |
ICSD |
1884 |
R3m (160) |
✗ |
4 |
38 |
2 |
0.4229 |
0.424 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| InSe |
ICSD |
32714 |
C2/m (12) |
✔ |
4 |
38 |
2 |
1.1651 |
1.346 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| InSe |
ICSD |
640503 |
P-6m2 (187) |
✗ |
8 |
76 |
2 |
0.6264 |
0.626 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| InBr3 |
ICSD |
65198 |
C2/m (12) |
✔ |
8 |
68 |
2 |
2.6722 |
2.697 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| RbSb2 |
ICSD |
419402 |
C2/m (12) |
✔ |
6 |
38 |
1 |
0.3062 |
0.713 |
0.000 |
(0;000) |
✔ |
02/02/17 |
| IrBr3 |
ICSD |
14212 |
C2/m (12) |
✔ |
8 |
60 |
2 |
1.4173 |
1.460 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GaAs |
ICSD |
107946 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.4268 |
0.427 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| RhBr3 |
ICSD |
28245 |
C2/m (12) |
✔ |
8 |
76 |
2 |
1.23 |
1.361 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| SiO2 |
ICSD |
75665 |
Pm (6) |
✗ |
12 |
64 |
3 |
3.8179 |
4.380 |
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 |
| K2Se3 |
ICSD |
1264 |
Ccm2_1 (36) |
✗ |
10 |
72 |
1 |
0.7025 |
0.851 |
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 |
| ZnTe |
ICSD |
184486 |
P3_121 (152) |
✗ |
6 |
54 |
3 |
0.2173 |
0.229 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| PbS |
ICSD |
183255 |
P6_3mc (186) |
✗ |
4 |
40 |
2 |
0.8123 |
1.012 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TeO2 |
ICSD |
166847 |
P2_1/m (11) |
✔ |
12 |
72 |
3 |
2.4449 |
2.506 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Li2S |
ICSD |
91283 |
P2_1nb (33) |
✗ |
12 |
48 |
1 |
2.808 |
3.650 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiO2 |
ICSD |
162660 |
I-42d (122) |
✗ |
6 |
32 |
3 |
5.8944 |
5.894 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CF4 |
ICSD |
2848 |
C2/c (15) |
✔ |
10 |
64 |
1 |
9.4116 |
9.472 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MgO |
ICSD |
161842 |
P6_3mc (186) |
✗ |
4 |
32 |
3 |
3.6457 |
3.646 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MgO |
ICSD |
166273 |
P-6m2 (187) |
✗ |
2 |
16 |
3 |
2.2858 |
2.517 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MgP4 |
ICSD |
113 |
P2_1/c (14) |
✔ |
10 |
60 |
1 |
0.6744 |
0.674 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MgS |
ICSD |
159401 |
F-43m (216) |
✗ |
2 |
16 |
3 |
3.3139 |
3.314 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MgSe |
ICSD |
159398 |
F-43m (216) |
✗ |
2 |
16 |
3 |
2.3963 |
2.396 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MgSe |
ICSD |
658986 |
P6_3mc (186) |
✗ |
4 |
32 |
3 |
2.3123 |
2.313 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MgTe |
ICSD |
159402 |
F-43m (216) |
✗ |
2 |
16 |
3 |
2.0409 |
2.041 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MgTe |
ICSD |
168348 |
P6_3mc (186) |
✗ |
4 |
32 |
3 |
2.059 |
2.059 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CI4 |
ICSD |
30789 |
I-42m (121) |
✗ |
5 |
32 |
1 |
0.9413 |
0.943 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MoO3 |
ICSD |
80577 |
P2_1/m (11) |
✔ |
8 |
64 |
2 |
2.3284 |
3.028 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| MoS2 |
ICSD |
38401 |
R3m (160) |
✗ |
3 |
26 |
2 |
0.8476 |
1.670 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MoSe2 |
ICSD |
16948 |
R3m (160) |
✗ |
3 |
26 |
0 |
0.8542 |
1.333 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| InAs |
ICSD |
190427 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.0806 |
0.081 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| Si2Mo |
ICSD |
182116 |
P6_222 (180) |
✗ |
9 |
66 |
3 |
0.0485 |
0.512 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| CN2 |
ICSD |
247676 |
P-42_1m (113) |
✗ |
6 |
28 |
2 |
4.6848 |
4.993 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CN2 |
ICSD |
247678 |
I-4m2 (119) |
✗ |
3 |
14 |
3 |
0.1717 |
0.173 |
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 |
| CN2 |
ICSD |
247680 |
Cmc2_1 (36) |
✗ |
6 |
28 |
3 |
1.1333 |
1.133 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiO2 |
ICSD |
162612 |
P6_222 (180) |
✗ |
9 |
48 |
3 |
5.633 |
5.840 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ScN |
ICSD |
236779 |
F-43m (216) |
✗ |
2 |
16 |
3 |
2.424 |
2.424 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CO |
ICSD |
26962 |
P2_13 (198) |
✗ |
8 |
40 |
1 |
6.4576 |
6.458 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CO2 |
ICSD |
188890 |
I-42d (122) |
✗ |
6 |
32 |
3 |
7.0217 |
7.119 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| PtO2 |
ICSD |
24923 |
P6_3mc (186) |
✗ |
6 |
44 |
2 |
1.4599 |
1.605 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CO2 |
ICSD |
188894 |
P4_12_12 (92) |
✗ |
12 |
64 |
1 |
2.6623 |
3.604 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TlN |
ICSD |
186556 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.0197 |
0.024 |
0.000 |
(1;000) |
✔ |
06/10/16 |
| SnS2 |
ICSD |
43003 |
P6_3mc (186) |
✗ |
6 |
52 |
2 |
1.2053 |
1.498 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiOs |
ICSD |
15692 |
P2_13 (198) |
✗ |
8 |
80 |
3 |
0.0821 |
0.090 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| YN |
ICSD |
161077 |
F-43m (216) |
✗ |
2 |
16 |
3 |
2.1509 |
2.167 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| YN |
ICSD |
161078 |
P6_3mc (186) |
✗ |
4 |
32 |
3 |
2.4206 |
2.723 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Rb2Se3 |
ICSD |
14093 |
Ccm2_1 (36) |
✗ |
10 |
72 |
1 |
0.7189 |
0.828 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| NO2 |
ICSD |
164631 |
P2_1/m (11) |
✔ |
12 |
68 |
1 |
1.4082 |
1.460 |
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 |
| CdAs2 |
ICSD |
16037 |
I4_122 (98) |
✗ |
6 |
44 |
3 |
0.2887 |
0.909 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| ZnTe |
ICSD |
104196 |
F-43m (216) |
✗ |
2 |
18 |
3 |
1.0183 |
1.018 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TeO2 |
ICSD |
62897 |
P4_32_12 (96) |
✗ |
12 |
72 |
3 |
2.9657 |
3.040 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| RuC |
ICSD |
181771 |
F-43m (216) |
✗ |
2 |
20 |
3 |
0.5257 |
0.839 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiO2 |
ICSD |
75647 |
I-4 (82) |
✗ |
12 |
64 |
3 |
5.8931 |
5.968 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnO |
ICSD |
162753 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.6019 |
0.602 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Nb2O5 |
ICSD |
25765 |
C2/m (12) |
✔ |
7 |
56 |
3 |
2.6685 |
3.191 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| SiC |
ICSD |
107204 |
P3m1 (156) |
✗ |
10 |
40 |
3 |
1.7282 |
2.854 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| As2Ir |
ICSD |
42573 |
P2_1/c (14) |
✔ |
12 |
76 |
3 |
0.9232 |
1.038 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| NiO2 |
ICSD |
88720 |
C2/m (12) |
✔ |
3 |
22 |
2 |
0.9834 |
1.142 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| NiP2 |
ICSD |
27160 |
C2/c (15) |
✔ |
6 |
40 |
3 |
0.5384 |
0.618 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiC |
ICSD |
24168 |
R3m (160) |
✗ |
10 |
40 |
3 |
1.9506 |
3.262 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ScP |
ICSD |
188693 |
F-43m (216) |
✗ |
2 |
16 |
3 |
1.5616 |
1.562 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SnC |
ICSD |
182365 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.4951 |
0.495 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| SiO2 |
ICSD |
153453 |
P3_1 (144) |
✗ |
9 |
48 |
0 |
5.9943 |
6.284 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZrC |
ICSD |
183162 |
F-43m (216) |
✗ |
2 |
16 |
3 |
0.3943 |
0.467 |
0.000 |
(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 |
| PbO |
ICSD |
36250 |
Pbc2_1 (29) |
✗ |
8 |
80 |
3 |
1.6145 |
1.935 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| PbO |
ICSD |
99777 |
P1 (1) |
✗ |
8 |
80 |
2 |
0.9824 |
0.982 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CaC2 |
ICSD |
24074 |
C2/c (15) |
✔ |
6 |
36 |
1 |
2.3901 |
2.972 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SnO |
ICSD |
424729 |
Ccm2_1 (36) |
✗ |
8 |
80 |
2 |
1.2884 |
1.479 |
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 |
| ZnO |
ICSD |
154486 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.7686 |
0.769 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Sb2Ru |
ICSD |
42608 |
Pmnn (58) |
✔ |
6 |
52 |
3 |
0.0682 |
0.627 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Plotting...
