| ▹ Formula |
▹ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▹ dim |
▹ gap |
▹ dir. gap |
▴ met. |
▹ ν |
wcc |
▹ updated |
| ZnO |
ICSD |
290968 |
P2_1 (4) |
✗ |
4 |
36 |
0 |
0.7688 |
0.769 |
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 |
| SiO2 |
ICSD |
100341 |
P3_221 (154) |
✗ |
9 |
48 |
3 |
6.0022 |
6.297 |
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 |
| SiO2 |
ICSD |
153886 |
P4_12_12 (92) |
✗ |
12 |
64 |
3 |
5.6311 |
5.636 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiO2 |
ICSD |
154289 |
P3_121 (152) |
✗ |
9 |
48 |
3 |
5.9953 |
6.285 |
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 |
| SiO2 |
ICSD |
162660 |
I-42d (122) |
✗ |
6 |
32 |
3 |
5.8944 |
5.894 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiO2 |
ICSD |
170510 |
I4_122 (98) |
✗ |
12 |
64 |
3 |
5.05 |
5.050 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiO2 |
ICSD |
170513 |
R3 (146) |
✗ |
9 |
48 |
0 |
5.7129 |
5.713 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiO2 |
ICSD |
413210 |
Cc (9) |
✗ |
12 |
64 |
3 |
5.8723 |
5.872 |
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 |
| SiO2 |
ICSD |
75651 |
P4_32_12 (96) |
✗ |
12 |
64 |
3 |
5.7082 |
5.708 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiO2 |
ICSD |
75654 |
C2/c (15) |
✔ |
12 |
64 |
3 |
5.8229 |
5.859 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiO2 |
ICSD |
75657 |
C2 (5) |
✗ |
12 |
64 |
3 |
5.553 |
5.591 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiO2 |
ICSD |
75665 |
Pm (6) |
✗ |
12 |
64 |
3 |
3.8179 |
4.380 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiO2 |
ICSD |
75668 |
Pc (7) |
✗ |
12 |
64 |
3 |
3.4494 |
3.876 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiO2 |
ICSD |
75669 |
P2 (3) |
✗ |
12 |
64 |
3 |
1.7784 |
1.964 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiO2 |
ICSD |
93975 |
P6_422 (181) |
✗ |
9 |
48 |
3 |
5.9324 |
6.151 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TeO2 |
ICSD |
161691 |
P4_12_12 (92) |
✗ |
12 |
72 |
3 |
2.4087 |
2.488 |
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 |
| TeO2 |
ICSD |
62897 |
P4_32_12 (96) |
✗ |
12 |
72 |
3 |
2.9657 |
3.040 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TiO2 |
ICSD |
189324 |
P-62m (189) |
✗ |
9 |
72 |
3 |
0.9234 |
0.923 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TiO2 |
ICSD |
41493 |
P3_121 (152) |
✗ |
9 |
72 |
3 |
3.8185 |
3.903 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2Te3 |
ICSD |
15753 |
R-3m (166) |
✔ |
5 |
28 |
2 |
0.0867 |
0.094 |
0.000 |
(1;000) |
✗ |
06/10/16 |
| OsO4 |
ICSD |
24672 |
C2 (5) |
✗ |
5 |
40 |
1 |
4.2187 |
4.251 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ta2O5 |
ICSD |
280397 |
C2 (5) |
✗ |
7 |
56 |
3 |
0.4534 |
1.346 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| P4Os |
ICSD |
647708 |
P2_1/c (14) |
✔ |
10 |
72 |
3 |
1.1626 |
1.319 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| SiOs |
ICSD |
15692 |
P2_13 (198) |
✗ |
8 |
80 |
3 |
0.0821 |
0.090 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| ScCl3 |
ICSD |
38235 |
R-3 (148) |
✔ |
8 |
64 |
2 |
3.1158 |
3.286 |
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 |
| WN2 |
ICSD |
290433 |
P-6m2 (187) |
✗ |
3 |
24 |
3 |
0.8125 |
1.046 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CdS |
ICSD |
60629 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
1.2121 |
1.212 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SnTe |
ICSD |
652743 |
Pnma (62) |
✔ |
8 |
80 |
2 |
0.1727 |
0.276 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| CdSe |
ICSD |
180931 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.3656 |
0.366 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| P4Ru |
ICSD |
648018 |
P2_1/c (14) |
✔ |
10 |
72 |
3 |
0.7523 |
0.752 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| PbS |
ICSD |
183243 |
R3m (160) |
✗ |
2 |
20 |
2 |
0.9607 |
0.966 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CdSe |
ICSD |
415786 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.5591 |
0.559 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| PbS |
ICSD |
183249 |
Pbm2 (28) |
✗ |
8 |
80 |
2 |
0.8462 |
1.424 |
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 |
| PbS |
ICSD |
68701 |
Cm2e (39) |
✗ |
4 |
40 |
2 |
1.0016 |
1.003 |
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 |
| PbSe |
ICSD |
74334 |
F2mm (42) |
✗ |
4 |
40 |
2 |
0.9339 |
0.934 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CdTe |
ICSD |
150941 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.5613 |
0.561 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CdTe |
ICSD |
67862 |
P3_121 (152) |
✗ |
6 |
54 |
3 |
0.5051 |
0.741 |
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 |
| CuCl |
ICSD |
23988 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.3607 |
0.361 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| BN |
ICSD |
162880 |
Cc (9) |
✗ |
8 |
32 |
3 |
3.3515 |
4.168 |
0.000 |
(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 |
| Rb2Se3 |
ICSD |
14093 |
Ccm2_1 (36) |
✗ |
10 |
72 |
1 |
0.7189 |
0.828 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Rb2Te |
ICSD |
55148 |
Cmc2_1 (36) |
✗ |
6 |
48 |
2 |
1.7077 |
1.708 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Rb2Te |
ICSD |
55151 |
Ccm2_1 (36) |
✗ |
6 |
48 |
2 |
1.9925 |
1.993 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Rb2Te5 |
ICSD |
30734 |
C2/m (12) |
✔ |
7 |
48 |
3 |
0.2458 |
0.494 |
0.000 |
(0;000) |
✔ |
02/02/17 |
| InCl |
ICSD |
2432 |
Ccm2_1 (36) |
✗ |
4 |
40 |
3 |
1.4416 |
1.525 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SO2 |
ICSD |
24645 |
C2ce (41) |
✗ |
6 |
36 |
1 |
2.7868 |
3.412 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BN |
ICSD |
41486 |
P6_3mc (186) |
✗ |
4 |
16 |
3 |
5.2311 |
8.408 |
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 |
| SnS |
ICSD |
79374 |
C2me (39) |
✗ |
4 |
40 |
2 |
1.0723 |
1.072 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MgCl2 |
ICSD |
51245 |
P-4m2 (115) |
✗ |
3 |
24 |
2 |
4.679 |
5.054 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MgF2 |
ICSD |
191439 |
Pmnn (58) |
✔ |
6 |
48 |
3 |
7.9375 |
7.938 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnS |
ICSD |
107611 |
R3m (160) |
✗ |
2 |
18 |
3 |
2.1125 |
2.113 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnS |
ICSD |
108733 |
F-43m (216) |
✗ |
2 |
18 |
3 |
2.0623 |
2.062 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnS |
ICSD |
184810 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
2.4085 |
2.409 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnS |
ICSD |
37373 |
R3m (160) |
✗ |
6 |
54 |
0 |
2.1341 |
2.134 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiS2 |
ICSD |
16952 |
I-42d (122) |
✗ |
6 |
32 |
3 |
2.9532 |
3.090 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SnS2 |
ICSD |
43003 |
P6_3mc (186) |
✗ |
6 |
52 |
2 |
1.2053 |
1.498 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnCl2 |
ICSD |
15916 |
I-42d (122) |
✗ |
6 |
52 |
3 |
3.8632 |
3.863 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| WS2 |
ICSD |
202367 |
R3m (160) |
✗ |
3 |
26 |
2 |
0.8802 |
1.635 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SrS3 |
ICSD |
23638 |
Cc2e (41) |
✗ |
8 |
56 |
1 |
1.0789 |
1.079 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZrCl2 |
ICSD |
20144 |
R3m (160) |
✗ |
3 |
26 |
2 |
0.8387 |
1.424 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZrS3 |
ICSD |
42073 |
P2_1/m (11) |
✔ |
8 |
44 |
2 |
0.9911 |
1.042 |
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 |
| ZnSe |
ICSD |
162755 |
F-43m (216) |
✗ |
2 |
18 |
3 |
1.1452 |
1.145 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnSe |
ICSD |
43595 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
1.1625 |
1.163 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZrSe3 |
ICSD |
25621 |
P2_1/m (11) |
✔ |
8 |
60 |
2 |
0.3234 |
0.610 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| BF2 |
ICSD |
27867 |
P2_1/c (14) |
✔ |
12 |
68 |
1 |
5.0014 |
5.057 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiSn |
ICSD |
184676 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.3735 |
1.360 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| MnN |
ICSD |
236787 |
F-43m (216) |
✗ |
2 |
20 |
3 |
0.0222 |
0.393 |
0.000 |
(0;000) |
✔ |
04/10/16 |
| AgO |
ICSD |
202543 |
P2_1/c (14) |
✔ |
8 |
68 |
3 |
0.1696 |
0.666 |
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 |
| ZnTe |
ICSD |
184486 |
P3_121 (152) |
✗ |
6 |
54 |
3 |
0.2173 |
0.229 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| ZnTe |
ICSD |
184488 |
P6_422 (181) |
✗ |
6 |
54 |
3 |
0.6079 |
0.689 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnTe |
ICSD |
67779 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
1.1475 |
1.148 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnTe |
ICSD |
80076 |
P3_1 (144) |
✗ |
6 |
54 |
3 |
0.2277 |
1.605 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| BiTe |
ICSD |
100654 |
P-3m1 (164) |
✔ |
12 |
126 |
2 |
0.0457 |
0.097 |
0.000 |
(0;001) |
✗ |
06/10/16 |
| AuCl2 |
ICSD |
201436 |
P-1 (2) |
✔ |
12 |
100 |
1 |
0.7861 |
1.208 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AgCl |
ICSD |
56544 |
Ccmm (63) |
✔ |
4 |
36 |
3 |
0.6341 |
1.745 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AgI |
ICSD |
28230 |
P4/nmm (129) |
✔ |
4 |
36 |
2 |
1.0238 |
1.024 |
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 |
| BBr3 |
ICSD |
173374 |
P2_1/m (11) |
✔ |
8 |
48 |
1 |
3.5823 |
3.889 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AlF3 |
ICSD |
36034 |
R-3 (148) |
✔ |
8 |
48 |
3 |
8.1649 |
8.165 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CrSi2 |
ICSD |
16836 |
P6_222 (180) |
✗ |
9 |
66 |
3 |
0.3285 |
0.492 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| CrSi2 |
ICSD |
96026 |
P6_422 (181) |
✗ |
9 |
66 |
3 |
0.3265 |
0.494 |
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 |
| BaSe2 |
ICSD |
16358 |
C2/c (15) |
✔ |
6 |
44 |
1 |
1.009 |
1.076 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AlN |
ICSD |
163951 |
Ccmm (63) |
✔ |
4 |
16 |
3 |
4.2953 |
5.458 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AlAs |
ICSD |
185081 |
F-43m (216) |
✗ |
2 |
8 |
3 |
1.3082 |
2.054 |
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 |
| CuI |
ICSD |
157431 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.9584 |
0.959 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| KSnAs |
ICSD |
610765 |
P6_3mc (186) |
✗ |
6 |
56 |
1 |
0.5034 |
0.530 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Plotting...
