| ▹ 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 |
| LaCl3 |
ICSD |
23146 |
P2_1/m (11) |
✔ |
8 |
48 |
3 |
4.3718 |
4.372 |
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 |
| 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 |
| TlCl2 |
ICSD |
4031 |
I4_1/a (88) |
✔ |
12 |
108 |
1 |
2.4354 |
2.536 |
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 |
| VCl5 |
ICSD |
425146 |
P-1 (2) |
✔ |
12 |
96 |
1 |
0.3098 |
0.388 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| ICl3 |
ICSD |
24714 |
P-1 (2) |
✔ |
8 |
56 |
1 |
1.5447 |
1.545 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| WCl6 |
ICSD |
26081 |
R-3 (148) |
✔ |
7 |
56 |
1 |
1.782 |
1.845 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| MoSe2 |
ICSD |
16948 |
R3m (160) |
✗ |
3 |
26 |
0 |
0.8542 |
1.333 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ca(AsO3)2 |
ICSD |
77379 |
P-31m (162) |
✔ |
9 |
56 |
2 |
2.9334 |
3.161 |
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 |
| YI3 |
ICSD |
170773 |
R-3 (148) |
✔ |
8 |
64 |
2 |
2.4263 |
2.773 |
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 |
| Ca(AsO3)2 |
ICSD |
29534 |
P312 (149) |
✗ |
9 |
56 |
2 |
3.1687 |
3.461 |
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 |
| Al2HgSe4 |
ICSD |
183502 |
I-4 (82) |
✗ |
7 |
42 |
3 |
1.5998 |
1.600 |
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 |
| K2AgBi |
ICSD |
1156 |
C222_1 (20) |
✗ |
8 |
68 |
1 |
0.6946 |
0.866 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BNCl2 |
ICSD |
14276 |
R3 (146) |
✗ |
12 |
66 |
1 |
2.3764 |
2.454 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| HfTe5 |
ICSD |
85508 |
Cmcm (63) |
✔ |
12 |
84 |
2 |
0.0829 |
0.086 |
0.000 |
(1;110) |
✗ |
06/10/16 |
| CN2 |
ICSD |
247680 |
Cmc2_1 (36) |
✗ |
6 |
28 |
3 |
1.1333 |
1.133 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Al2ZnSe4 |
ICSD |
25636 |
I-4 (82) |
✗ |
7 |
42 |
3 |
2.3639 |
2.364 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BaMgF4 |
ICSD |
182596 |
Ccm2_1 (36) |
✗ |
12 |
96 |
2 |
6.6299 |
6.798 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BaTiO3 |
ICSD |
73633 |
R3m (160) |
✗ |
5 |
40 |
3 |
2.4045 |
2.715 |
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 |
| BaZnF4 |
ICSD |
402925 |
Ccm2_1 (36) |
✗ |
12 |
100 |
2 |
4.6827 |
4.712 |
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 |
| AlPO4 |
ICSD |
280772 |
P2_1 (4) |
✗ |
12 |
64 |
3 |
5.6811 |
5.681 |
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 |
| HfS2 |
ICSD |
601164 |
P-3m1 (164) |
✔ |
3 |
24 |
2 |
0.9936 |
1.854 |
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 |
| TlF |
ICSD |
90992 |
Pmab (57) |
✔ |
8 |
80 |
2 |
2.8245 |
2.913 |
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 |
| MgF2 |
ICSD |
51243 |
P-1 (2) |
✔ |
6 |
48 |
1 |
0.7823 |
1.004 |
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 |
| LaF3 |
ICSD |
167553 |
Pmmn (59) |
✔ |
8 |
48 |
3 |
6.5026 |
6.822 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BPS4 |
ICSD |
24618 |
I222 (23) |
✗ |
6 |
32 |
1 |
1.1178 |
1.383 |
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 |
| PbS |
ICSD |
183241 |
Pmnb (62) |
✔ |
8 |
80 |
2 |
0.9413 |
0.962 |
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 |
| FeS2 |
ICSD |
15012 |
Pa3 (205) |
✔ |
12 |
80 |
3 |
0.5231 |
0.568 |
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 |
| 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 |
| FeSe2 |
ICSD |
25680 |
Pmnn (58) |
✔ |
6 |
40 |
3 |
0.2853 |
0.828 |
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 |
| NO2 |
ICSD |
164631 |
P2_1/m (11) |
✔ |
12 |
68 |
1 |
1.4082 |
1.460 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CoAsS |
ICSD |
43221 |
Pca2_1 (29) |
✗ |
12 |
80 |
3 |
0.8165 |
1.065 |
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 |
| AlPO4 |
ICSD |
280773 |
P2_1 (4) |
✗ |
12 |
64 |
3 |
5.6822 |
5.682 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CdAs2 |
ICSD |
16037 |
I4_122 (98) |
✗ |
6 |
44 |
3 |
0.2887 |
0.909 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| SnSe |
ICSD |
71338 |
P4/nmm (129) |
✔ |
4 |
40 |
2 |
1.0615 |
1.067 |
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 |
| Ga2Os |
ICSD |
103785 |
Fddd (70) |
✔ |
6 |
84 |
3 |
0.5627 |
0.794 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ga2Ru |
ICSD |
635227 |
Fddd (70) |
✔ |
6 |
84 |
3 |
0.2122 |
0.894 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BPO4 |
ICSD |
413437 |
I-4 (82) |
✗ |
6 |
32 |
3 |
7.731 |
7.958 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ga2Te5 |
ICSD |
1085 |
I4/m (87) |
✔ |
7 |
56 |
3 |
0.8135 |
0.828 |
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 |
| Al2CdS4 |
ICSD |
67218 |
I-4 (82) |
✗ |
7 |
42 |
3 |
2.9268 |
2.969 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CuAgS |
ICSD |
66582 |
Pmc2_1 (26) |
✗ |
12 |
112 |
3 |
0.7416 |
0.819 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AlPO4 |
ICSD |
98378 |
C222_1 (20) |
✗ |
12 |
64 |
3 |
5.7685 |
5.769 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ag3SI |
ICSD |
93431 |
R3 (146) |
✗ |
5 |
46 |
3 |
0.4794 |
0.925 |
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 |
| GeO2 |
ICSD |
158598 |
Pmnn (58) |
✔ |
6 |
32 |
3 |
3.2329 |
3.286 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiC |
ICSD |
107204 |
P3m1 (156) |
✗ |
10 |
40 |
3 |
1.7282 |
2.854 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AlPO4 |
ICSD |
98383 |
C222_1 (20) |
✗ |
12 |
64 |
3 |
5.7651 |
5.765 |
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 |
| GeS |
ICSD |
1256 |
Pmcn (62) |
✔ |
8 |
40 |
2 |
1.1038 |
1.104 |
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 |
| GeSe |
ICSD |
17006 |
Pmcn (62) |
✔ |
8 |
40 |
2 |
0.5998 |
0.700 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| GeSe |
ICSD |
637852 |
Pmnb (62) |
✔ |
8 |
40 |
2 |
0.6476 |
0.829 |
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 |
| PbO |
ICSD |
62846 |
P4/nmm (129) |
✔ |
4 |
40 |
2 |
1.1693 |
2.163 |
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 |
| BaTiO3 |
ICSD |
73641 |
C2mm (38) |
✗ |
5 |
40 |
3 |
2.1532 |
2.468 |
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 |
| Ag2HgI4 |
ICSD |
25592 |
I-4 (82) |
✗ |
7 |
62 |
3 |
1.0077 |
1.008 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| PbSe |
ICSD |
648514 |
Pnma (62) |
✔ |
8 |
80 |
3 |
0.6688 |
0.905 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| PI2 |
ICSD |
203216 |
P-1 (2) |
✔ |
6 |
38 |
1 |
1.5597 |
1.560 |
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 |
| BPO4 |
ICSD |
150378 |
I-4 (82) |
✗ |
6 |
32 |
3 |
7.6596 |
7.782 |
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 |
| InS |
ICSD |
15931 |
Pnnm (58) |
✔ |
8 |
76 |
3 |
0.6548 |
1.429 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| BaC2 |
ICSD |
88102 |
C2/c (15) |
✔ |
6 |
36 |
1 |
1.9008 |
2.015 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| AlPS4 |
ICSD |
428185 |
I222 (23) |
✗ |
6 |
32 |
1 |
2.5158 |
2.670 |
0.000 |
(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 |
| BaTiO3 |
ICSD |
73636 |
R3m (160) |
✗ |
5 |
40 |
3 |
2.3575 |
2.655 |
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 |
| Te3As2 |
ICSD |
18208 |
C2/m (12) |
✔ |
10 |
56 |
2 |
0.3627 |
0.397 |
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 |
| Tl3AsS3 |
ICSD |
100292 |
R3m (160) |
✗ |
7 |
62 |
3 |
0.8209 |
0.911 |
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 |
| CaC2 |
ICSD |
290833 |
C2/m (12) |
✔ |
6 |
36 |
1 |
2.378 |
2.794 |
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 |
| SnSe |
ICSD |
186650 |
Pmnb (62) |
✔ |
8 |
80 |
2 |
0.4992 |
0.652 |
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 |
| Sn2IF3 |
ICSD |
2419 |
C222_1 (20) |
✗ |
12 |
112 |
1 |
2.2326 |
2.389 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Plotting...
