| ▹ Formula |
▹ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▹ dim |
▹ gap |
▹ dir. gap |
▹ met. |
▴ ν |
wcc |
▹ updated |
| RbClO3 |
ICSD |
10283 |
R3m (160) |
✗ |
5 |
34 |
1 |
5.3969 |
5.397 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GeS |
ICSD |
637785 |
Pmnb (62) |
✔ |
8 |
40 |
2 |
0.8942 |
1.214 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| FeSe2 |
ICSD |
25680 |
Pmnn (58) |
✔ |
6 |
40 |
3 |
0.2853 |
0.828 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| RbClO3 |
ICSD |
36260 |
R3m (160) |
✗ |
5 |
34 |
1 |
5.3577 |
5.830 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TlClO3 |
ICSD |
76434 |
R3m (160) |
✗ |
5 |
38 |
1 |
3.9476 |
4.010 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| FeSe |
ICSD |
182545 |
Cmme (67) |
✔ |
4 |
28 |
2 |
0.0 |
0.020 |
0.084 |
(0;000) |
✗ |
06/10/16 |
| FeSb2 |
ICSD |
151397 |
Pmnn (58) |
✔ |
6 |
36 |
3 |
0.1637 |
0.361 |
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 |
| FeS2 |
ICSD |
42415 |
Pmnn (58) |
✔ |
6 |
40 |
3 |
0.8069 |
1.148 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| FeS2 |
ICSD |
15012 |
Pa3 (205) |
✔ |
12 |
80 |
3 |
0.5231 |
0.568 |
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 |
| OsC |
ICSD |
185996 |
F-43m (216) |
✗ |
2 |
20 |
3 |
0.0 |
0.341 |
0.015 |
(0;000) |
✔ |
06/10/16 |
| Hg2GeSe4 |
ICSD |
636599 |
I-4 (82) |
✗ |
7 |
52 |
3 |
0.4485 |
0.449 |
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 |
| FeO |
ICSD |
82236 |
R-3m (166) |
✔ |
2 |
14 |
3 |
0.0 |
0.086 |
0.246 |
(0;000) |
✗ |
06/10/16 |
| K4CO4 |
ICSD |
245423 |
R3 (146) |
✗ |
9 |
64 |
3 |
3.2247 |
3.274 |
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 |
| NiF3 |
ICSD |
87943 |
R-3 (148) |
✔ |
8 |
62 |
3 |
0.0 |
0.000 |
0.663 |
(0;000) |
✗ |
27/01/17 |
| SiPt3 |
ICSD |
246170 |
C2/m (12) |
✔ |
8 |
68 |
3 |
0.0 |
0.131 |
0.074 |
(0;000) |
✔ |
27/01/17 |
| K4CO4 |
ICSD |
245425 |
I-4 (82) |
✗ |
9 |
64 |
3 |
3.5033 |
3.565 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| LaF3 |
ICSD |
167553 |
Pmmn (59) |
✔ |
8 |
48 |
3 |
6.5026 |
6.822 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| NiF2 |
ICSD |
34307 |
Pmnn (58) |
✔ |
6 |
48 |
3 |
0.0 |
0.017 |
0.293 |
(0;000) |
✗ |
06/10/16 |
| MgF2 |
ICSD |
51243 |
P-1 (2) |
✔ |
6 |
48 |
1 |
0.7823 |
1.004 |
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 |
| CO2 |
ICSD |
188894 |
P4_12_12 (92) |
✗ |
12 |
64 |
1 |
2.6623 |
3.604 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MnClO3 |
ICSD |
416749 |
Ccm2_1 (36) |
✗ |
10 |
80 |
1 |
0.0 |
1.599 |
1.000 |
(0;000) |
✔ |
06/10/16 |
| Ge2N2O |
ICSD |
169121 |
Cmc2_1 (36) |
✗ |
10 |
48 |
3 |
4.0068 |
4.143 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TlF |
ICSD |
90992 |
Pmab (57) |
✔ |
8 |
80 |
2 |
2.8245 |
2.913 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TlF |
ICSD |
30268 |
Fmmm (69) |
✔ |
2 |
20 |
1 |
1.7905 |
1.791 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TcN |
ICSD |
167870 |
F-43m (216) |
✗ |
2 |
20 |
3 |
6.2963 |
0.005 |
1.000 |
(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 |
| Cu3Sn |
ICSD |
150503 |
Pmnm (59) |
✔ |
8 |
94 |
3 |
0.0 |
0.000 |
0.939 |
(0;000) |
✗ |
06/10/16 |
| Cd2P3I |
ICSD |
100816 |
Cc (9) |
✗ |
12 |
92 |
3 |
0.9951 |
1.364 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CdPS3 |
ICSD |
80875 |
R3 (146) |
✗ |
10 |
70 |
0 |
1.8394 |
2.251 |
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 |
| Tl2CdTe4 |
ICSD |
620549 |
I-4 (82) |
✗ |
7 |
62 |
3 |
0.5551 |
0.767 |
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 |
| Cd2P3Cl |
ICSD |
100818 |
Cc (9) |
✗ |
12 |
92 |
3 |
1.2195 |
1.493 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BaCO3 |
ICSD |
158389 |
R3m (160) |
✗ |
5 |
32 |
1 |
3.7206 |
3.786 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| K2CdSn |
ICSD |
620066 |
C2cm (40) |
✗ |
8 |
88 |
1 |
0.0462 |
0.306 |
0.000 |
(0;000) |
✔ |
05/12/16 |
| KClO3 |
ICSD |
9483 |
R3m (160) |
✗ |
5 |
34 |
2 |
0.924 |
0.993 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GeS |
ICSD |
155418 |
Cmcm (63) |
✔ |
4 |
20 |
3 |
0.0 |
0.012 |
0.256 |
(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 |
| CdSO4 |
ICSD |
100317 |
Pn2_1m (31) |
✗ |
12 |
84 |
3 |
3.4241 |
3.718 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ga2HgSe4 |
ICSD |
290393 |
I-4 (82) |
✗ |
7 |
62 |
3 |
0.8371 |
0.837 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CuSe2 |
ICSD |
242 |
Pmnn (58) |
✔ |
6 |
46 |
3 |
0.0 |
0.000 |
0.939 |
(0;000) |
✗ |
06/10/16 |
| MnAs |
ICSD |
184925 |
F-43m (216) |
✗ |
2 |
20 |
3 |
0.0 |
0.038 |
0.075 |
(0;000) |
✔ |
06/10/16 |
| CdSO4 |
ICSD |
25772 |
Pn2_1m (31) |
✗ |
12 |
84 |
3 |
2.8065 |
3.264 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| RbBrO3 |
ICSD |
74768 |
R3m (160) |
✗ |
5 |
34 |
1 |
4.0343 |
4.035 |
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 |
| KClO3 |
ICSD |
188311 |
R3m (160) |
✗ |
5 |
34 |
1 |
4.7094 |
4.710 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Hg2GeSe4 |
ICSD |
96180 |
I-4 (82) |
✗ |
7 |
52 |
3 |
0.4544 |
0.454 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| GePtSe |
ICSD |
2595 |
P2_1ab (29) |
✗ |
12 |
80 |
3 |
0.458 |
0.602 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| GePtSe |
ICSD |
822 |
P2_1ab (29) |
✗ |
12 |
80 |
3 |
0.8395 |
1.082 |
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 |
| KCN |
ICSD |
27350 |
Cm (8) |
✗ |
3 |
18 |
1 |
4.9473 |
5.716 |
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 |
| K4CO4 |
ICSD |
245426 |
Cm (8) |
✗ |
9 |
64 |
3 |
2.9078 |
3.076 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TlBrO3 |
ICSD |
76966 |
R3m (160) |
✗ |
5 |
38 |
1 |
2.7769 |
2.778 |
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 |
| CoTe2 |
ICSD |
25678 |
Pmnn (58) |
✔ |
6 |
42 |
3 |
0.0 |
0.000 |
0.783 |
(0;000) |
✗ |
06/10/16 |
| CoSb2 |
ICSD |
624899 |
Pnnm (58) |
✔ |
6 |
54 |
3 |
0.0 |
0.000 |
0.933 |
(0;000) |
✗ |
27/01/17 |
| MoSe2 |
ICSD |
16948 |
R3m (160) |
✗ |
3 |
26 |
0 |
0.8542 |
1.333 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Cd(InTe2)2 |
ICSD |
620058 |
I-4 (82) |
✗ |
7 |
62 |
3 |
0.8795 |
0.880 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| K2CdPb |
ICSD |
10041 |
C2cm (40) |
✗ |
8 |
88 |
1 |
0.1156 |
0.312 |
0.000 |
(0;000) |
✔ |
05/12/16 |
| WCl6 |
ICSD |
26081 |
R-3 (148) |
✔ |
7 |
56 |
1 |
1.782 |
1.845 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| ICl3 |
ICSD |
24714 |
P-1 (2) |
✔ |
8 |
56 |
1 |
1.5447 |
1.545 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MoS2 |
ICSD |
38401 |
R3m (160) |
✗ |
3 |
26 |
2 |
0.8476 |
1.670 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| VCl5 |
ICSD |
425146 |
P-1 (2) |
✔ |
12 |
96 |
1 |
0.3098 |
0.388 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| MoO3 |
ICSD |
80577 |
P2_1/m (11) |
✔ |
8 |
64 |
2 |
2.3284 |
3.028 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| MoC |
ICSD |
183166 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.417 |
(0;000) |
✔ |
06/10/16 |
| TlCl2 |
ICSD |
4031 |
I4_1/a (88) |
✔ |
12 |
108 |
1 |
2.4354 |
2.536 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| OsCl4 |
ICSD |
1165 |
Cmmm (65) |
✔ |
5 |
44 |
1 |
0.0 |
0.322 |
0.353 |
(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 |
| TiCl3 |
ICSD |
38236 |
R-3 (148) |
✔ |
8 |
66 |
2 |
0.0 |
0.009 |
0.695 |
(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 |
| 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 |
| BaCO3 |
ICSD |
158390 |
R3m (160) |
✗ |
5 |
32 |
1 |
3.7237 |
3.789 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ga2HgSe4 |
ICSD |
83712 |
I-4 (82) |
✗ |
7 |
62 |
3 |
1.0363 |
1.036 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| LiIO3 |
ICSD |
46025 |
P6_3 (173) |
✗ |
10 |
56 |
0 |
3.7353 |
3.809 |
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 |
| MgTe |
ICSD |
159402 |
F-43m (216) |
✗ |
2 |
16 |
3 |
2.0409 |
2.041 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| HfC |
ICSD |
185992 |
F-43m (216) |
✗ |
2 |
16 |
3 |
0.2904 |
0.290 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| FeCl3 |
ICSD |
151400 |
R-3 (148) |
✔ |
8 |
58 |
2 |
0.0 |
0.026 |
0.296 |
(0;000) |
✗ |
06/10/16 |
| CrCl3 |
ICSD |
22081 |
R-3 (148) |
✔ |
8 |
70 |
2 |
0.0 |
0.029 |
0.399 |
(0;000) |
✗ |
27/01/17 |
| MgSe |
ICSD |
658986 |
P6_3mc (186) |
✗ |
4 |
32 |
3 |
2.3123 |
2.313 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| KCN |
ICSD |
27351 |
Cm (8) |
✗ |
3 |
18 |
1 |
4.6894 |
5.539 |
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 |
| PoCl2 |
ICSD |
26650 |
Pmmm (47) |
✔ |
3 |
30 |
3 |
0.0 |
0.728 |
0.398 |
(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 |
| PdCl2 |
ICSD |
30209 |
Pmnn (58) |
✔ |
6 |
48 |
1 |
0.7678 |
1.190 |
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 |
| HC |
ICSD |
187642 |
I2_13 (199) |
✗ |
8 |
20 |
3 |
4.8022 |
6.465 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GeAs |
ICSD |
610598 |
C2/m (12) |
✔ |
12 |
54 |
3 |
0.3183 |
0.347 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| Cd(InSe2)2 |
ICSD |
151954 |
I-4 (82) |
✗ |
7 |
62 |
3 |
0.8879 |
0.888 |
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 |
| MgCl2 |
ICSD |
51244 |
Pmmb (51) |
✔ |
6 |
48 |
2 |
0.0 |
0.007 |
0.196 |
(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 |
| CrCl2 |
ICSD |
15467 |
Pmnn (58) |
✔ |
6 |
56 |
1 |
0.0 |
0.015 |
0.396 |
(0;000) |
✗ |
06/10/16 |
Plotting...
