| ▹ Formula |
▹ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▹ dim |
▹ gap |
▹ dir. gap |
▹ met. |
▹ ν |
wcc |
▴ updated |
| 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 |
| MnN |
ICSD |
184928 |
P6_3mc (186) |
✗ |
4 |
40 |
3 |
0.0 |
0.027 |
0.121 |
(0;000) |
✔ |
06/10/16 |
| 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 |
| Si2Mo |
ICSD |
182116 |
P6_222 (180) |
✗ |
9 |
66 |
3 |
0.0485 |
0.512 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| NbN |
ICSD |
185442 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.0 |
0.008 |
0.291 |
(1;100) |
✔ |
06/10/16 |
| NbN |
ICSD |
191062 |
P-6m2 (187) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.200 |
(0;100) |
✔ |
06/10/16 |
| OsN |
ICSD |
167513 |
Pmn2_1 (31) |
✗ |
4 |
42 |
3 |
0.0 |
0.000 |
0.868 |
(0;001) |
✔ |
06/10/16 |
| Re3N |
ICSD |
188352 |
P-6m2 (187) |
✗ |
4 |
50 |
3 |
0.0 |
0.000 |
0.675 |
(0;100) |
✔ |
06/10/16 |
| RhN |
ICSD |
167872 |
F-43m (216) |
✗ |
2 |
22 |
3 |
0.0 |
0.031 |
0.689 |
(1;000) |
✔ |
06/10/16 |
| ScN |
ICSD |
236779 |
F-43m (216) |
✗ |
2 |
16 |
3 |
2.424 |
2.424 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TaN |
ICSD |
644712 |
P-62m (189) |
✗ |
6 |
54 |
3 |
0.0 |
0.000 |
0.289 |
(0;100) |
✔ |
06/10/16 |
| TaN |
ICSD |
644729 |
Cm2m (38) |
✗ |
6 |
54 |
3 |
0.0 |
0.000 |
0.288 |
(1;100) |
✔ |
06/10/16 |
| TcN |
ICSD |
167870 |
F-43m (216) |
✗ |
2 |
20 |
3 |
6.2963 |
0.005 |
1.000 |
(0;000) |
✗ |
06/10/16 |
| TlN |
ICSD |
184575 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.0 |
0.012 |
0.003 |
(1;000) |
✔ |
06/10/16 |
| TlN |
ICSD |
186556 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.0197 |
0.024 |
0.000 |
(1;000) |
✔ |
06/10/16 |
| VN |
ICSD |
191061 |
P-6m2 (187) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.163 |
(1;100) |
✔ |
06/10/16 |
| VN |
ICSD |
236783 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.388 |
(1;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 |
| NO2 |
ICSD |
164631 |
P2_1/m (11) |
✔ |
12 |
68 |
1 |
1.4082 |
1.460 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| OsN2 |
ICSD |
290439 |
P-6m2 (187) |
✗ |
3 |
26 |
3 |
0.0 |
0.000 |
0.655 |
(0;100) |
✔ |
06/10/16 |
| PtN2 |
ICSD |
290445 |
P-6m2 (187) |
✗ |
3 |
20 |
3 |
0.0 |
0.007 |
0.161 |
(1;100) |
✔ |
06/10/16 |
| ReN2 |
ICSD |
187441 |
C2/m (12) |
✔ |
6 |
50 |
3 |
0.0 |
0.405 |
0.171 |
(0;000) |
✔ |
06/10/16 |
| ReN2 |
ICSD |
187448 |
Pm (6) |
✗ |
6 |
50 |
3 |
0.0 |
0.009 |
0.644 |
(1;000) |
✔ |
06/10/16 |
| WN2 |
ICSD |
290433 |
P-6m2 (187) |
✗ |
3 |
24 |
3 |
0.8125 |
1.046 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| NbP |
ICSD |
645167 |
I4_1md (109) |
✗ |
4 |
36 |
3 |
0.0 |
0.024 |
0.025 |
(1;100) |
✔ |
06/10/16 |
| NbSe2 |
ICSD |
16304 |
P6_3/mmc (194) |
✔ |
6 |
50 |
2 |
0.0 |
0.000 |
0.896 |
(0;100) |
✔ |
06/10/16 |
| Nb2O5 |
ICSD |
51176 |
C2 (5) |
✗ |
7 |
56 |
3 |
0.0 |
0.431 |
0.107 |
(0;000) |
✔ |
06/10/16 |
| NiO |
ICSD |
246910 |
R-3m (166) |
✔ |
2 |
16 |
3 |
0.0 |
0.000 |
0.631 |
(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 |
| NiS |
ICSD |
42493 |
P6_3mc (186) |
✗ |
4 |
32 |
0 |
0.0 |
0.001 |
0.296 |
(0;000) |
✔ |
06/10/16 |
| NiSb2 |
ICSD |
646409 |
P2nn (34) |
✗ |
6 |
40 |
3 |
0.0 |
0.012 |
0.493 |
(1;000) |
✔ |
06/10/16 |
| NiSe |
ICSD |
42596 |
R3m (160) |
✗ |
6 |
48 |
3 |
0.0 |
0.000 |
0.474 |
(1;000) |
✔ |
06/10/16 |
| TiNi |
ICSD |
105414 |
P2_1/m (11) |
✔ |
4 |
44 |
3 |
0.0 |
0.025 |
0.763 |
(1;100) |
✔ |
06/10/16 |
| ZnNi |
ICSD |
105472 |
F-43m (216) |
✗ |
2 |
22 |
3 |
0.0 |
0.043 |
0.357 |
(0;000) |
✔ |
06/10/16 |
| Ni3Se4 |
ICSD |
42558 |
C2/m (12) |
✔ |
7 |
54 |
3 |
0.0 |
0.040 |
0.597 |
(0;000) |
✔ |
06/10/16 |
| 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 |
| SnO |
ICSD |
20624 |
P2_1mn (31) |
✗ |
4 |
40 |
3 |
0.0 |
0.237 |
0.107 |
(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 |
| ZnO |
ICSD |
162753 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.6019 |
0.602 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| 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 |
| SO2 |
ICSD |
24645 |
C2ce (41) |
✗ |
6 |
36 |
1 |
2.7868 |
3.412 |
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 |
| VO2 |
ICSD |
89471 |
P2/m (10) |
✔ |
6 |
50 |
3 |
0.0 |
0.011 |
0.940 |
(0;010) |
✔ |
06/10/16 |
| ReO3 |
ICSD |
202338 |
P6_322 (182) |
✗ |
8 |
66 |
3 |
0.0 |
0.001 |
0.569 |
(1;101) |
✔ |
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 |
| SiOs |
ICSD |
15692 |
P2_13 (198) |
✗ |
8 |
80 |
3 |
0.0821 |
0.090 |
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 |
| TaP |
ICSD |
648185 |
I4_1md (109) |
✗ |
4 |
36 |
3 |
0.0 |
0.050 |
0.015 |
(1;001) |
✔ |
06/10/16 |
| TlP |
ICSD |
184576 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.014 |
(1;000) |
✔ |
06/10/16 |
| P2W |
ICSD |
37224 |
C2/m (12) |
✔ |
6 |
48 |
3 |
0.0 |
0.081 |
0.199 |
(0;000) |
✔ |
06/10/16 |
| PbS |
ICSD |
183243 |
R3m (160) |
✗ |
2 |
20 |
2 |
0.9607 |
0.966 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| PbS |
ICSD |
183245 |
P-6m2 (187) |
✗ |
2 |
20 |
3 |
0.0 |
0.584 |
0.111 |
(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 |
| TiPd |
ICSD |
167649 |
P2_1/m (11) |
✔ |
4 |
44 |
3 |
0.0 |
0.000 |
0.849 |
(0;000) |
✔ |
06/10/16 |
| ZnPo |
ICSD |
105771 |
F-43m (216) |
✗ |
2 |
28 |
3 |
0.0 |
0.000 |
0.009 |
(1;000) |
✔ |
06/10/16 |
| TePt |
ICSD |
41383 |
C2/m (12) |
✔ |
4 |
32 |
2 |
0.0 |
0.077 |
0.748 |
(1;111) |
✔ |
06/10/16 |
| RbSb |
ICSD |
191491 |
F-43m (216) |
✗ |
2 |
14 |
1 |
0.0 |
0.000 |
0.134 |
(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 |
| 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 |
| SiRu |
ICSD |
650618 |
P2_13 (198) |
✗ |
8 |
80 |
3 |
28.9579 |
0.291 |
1.000 |
(0;000) |
✗ |
06/10/16 |
| SnS |
ICSD |
43409 |
F-43m (216) |
✗ |
2 |
20 |
3 |
0.0 |
0.025 |
0.304 |
(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 |
| YS |
ICSD |
69042 |
Fmm2 (42) |
✗ |
4 |
34 |
2 |
0.0 |
0.003 |
0.567 |
(0;111) |
✔ |
06/10/16 |
| ZnS |
ICSD |
107611 |
R3m (160) |
✗ |
2 |
18 |
3 |
2.1125 |
2.113 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Plotting...
