| ▹ Formula |
▹ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▹ dim |
▹ gap |
▹ dir. gap |
▴ met. |
▹ ν |
wcc |
▹ updated |
| HfS2 |
ICSD |
601164 |
P-3m1 (164) |
✔ |
3 |
24 |
2 |
0.9936 |
1.854 |
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 |
| HfTe5 |
ICSD |
85508 |
Cmcm (63) |
✔ |
12 |
84 |
2 |
0.0829 |
0.086 |
0.000 |
(1;110) |
✗ |
06/10/16 |
| PtO2 |
ICSD |
24923 |
P6_3mc (186) |
✗ |
6 |
44 |
2 |
1.4599 |
1.605 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Al2CdSe4 |
ICSD |
174192 |
I-4 (82) |
✗ |
7 |
42 |
3 |
2.0835 |
2.084 |
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 |
| Al4C3 |
ICSD |
14397 |
R3m (160) |
✗ |
7 |
24 |
3 |
0.8906 |
1.617 |
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 |
| Al2HgSe4 |
ICSD |
25638 |
I-4 (82) |
✗ |
7 |
42 |
3 |
1.5826 |
1.583 |
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 |
| InI |
ICSD |
38129 |
Ccmm (63) |
✔ |
4 |
40 |
3 |
1.1696 |
1.170 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| InI |
ICSD |
55181 |
Cmcm (63) |
✔ |
4 |
40 |
3 |
0.7644 |
0.832 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TlI |
ICSD |
26761 |
Ccmm (63) |
✔ |
4 |
40 |
2 |
1.4715 |
1.656 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| PdI2 |
ICSD |
23169 |
Pnnm (58) |
✔ |
6 |
64 |
1 |
0.6718 |
0.969 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| LaI3 |
ICSD |
31596 |
Cmcm (63) |
✔ |
8 |
48 |
2 |
1.1147 |
1.359 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SbI3 |
ICSD |
26082 |
R-3 (148) |
✔ |
8 |
52 |
2 |
1.7182 |
1.827 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| YI3 |
ICSD |
170773 |
R-3 (148) |
✔ |
8 |
64 |
2 |
2.4263 |
2.773 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| K2S |
ICSD |
412535 |
Cmcm (63) |
✔ |
6 |
48 |
1 |
2.7895 |
2.790 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| PI2 |
ICSD |
203216 |
P-1 (2) |
✔ |
6 |
38 |
1 |
1.5597 |
1.560 |
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 |
| BaZnO2 |
ICSD |
25812 |
P3_121 (152) |
✗ |
12 |
102 |
3 |
2.4305 |
2.431 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| InS |
ICSD |
15931 |
Pnnm (58) |
✔ |
8 |
76 |
3 |
0.6548 |
1.429 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| 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 |
| AgBr |
ICSD |
56549 |
P2_1/m (11) |
✔ |
4 |
36 |
3 |
0.3803 |
1.889 |
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 |
| CaCl2 |
ICSD |
51238 |
Pm2_1n (31) |
✗ |
6 |
48 |
1 |
0.051 |
0.084 |
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 |
| AlGa3N4 |
ICSD |
187054 |
P-43m (215) |
✗ |
8 |
62 |
3 |
2.3197 |
2.320 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| K2O2 |
ICSD |
180559 |
Ccme (64) |
✔ |
8 |
60 |
1 |
2.5679 |
2.644 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| K3Sb |
ICSD |
641351 |
Fm-3m (225) |
✔ |
4 |
32 |
1 |
0.6121 |
0.612 |
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 |
| CaF2 |
ICSD |
51239 |
Pmc2_1 (26) |
✗ |
6 |
48 |
1 |
6.5997 |
6.813 |
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 |
| CaSe |
ICSD |
167834 |
F-43m (216) |
✗ |
2 |
16 |
1 |
3.0584 |
3.136 |
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 |
| CoAsS |
ICSD |
31189 |
P2_1ca (29) |
✗ |
12 |
80 |
3 |
0.8804 |
1.143 |
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 |
| AlPS4 |
ICSD |
15910 |
P222 (16) |
✗ |
12 |
64 |
2 |
1.5836 |
1.670 |
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 |
| La2O3 |
ICSD |
56166 |
P-3m1 (164) |
✔ |
5 |
24 |
3 |
3.0056 |
3.250 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Li2O2 |
ICSD |
24143 |
P6_3/mmc (194) |
✔ |
8 |
36 |
2 |
2.7201 |
2.720 |
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 |
| Ag3SI |
ICSD |
159858 |
R3 (146) |
✗ |
5 |
46 |
3 |
0.4293 |
0.829 |
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 |
| MnP4 |
ICSD |
100786 |
P-1 (2) |
✔ |
10 |
70 |
3 |
0.3988 |
0.496 |
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 |
| Ca2CdAs2 |
ICSD |
422579 |
Ccm2_1 (36) |
✗ |
10 |
84 |
1 |
0.8205 |
0.821 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| K4CO4 |
ICSD |
245425 |
I-4 (82) |
✗ |
9 |
64 |
3 |
3.5033 |
3.565 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| KAgO |
ICSD |
25744 |
I-4 (82) |
✗ |
12 |
104 |
1 |
1.4553 |
1.701 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| OsO4 |
ICSD |
24672 |
C2 (5) |
✗ |
5 |
40 |
1 |
4.2187 |
4.251 |
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 |
| Ta2O5 |
ICSD |
280397 |
C2 (5) |
✗ |
7 |
56 |
3 |
0.4534 |
1.346 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| MoS2 |
ICSD |
24000 |
P6_3/mmc (194) |
✔ |
6 |
52 |
2 |
0.8501 |
1.709 |
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 |
| Cd(GaS2)2 |
ICSD |
106362 |
I-4 (82) |
✗ |
7 |
62 |
3 |
2.0324 |
2.034 |
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 |
| SnSe |
ICSD |
71338 |
P4/nmm (129) |
✔ |
4 |
40 |
2 |
1.0615 |
1.067 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| YN |
ICSD |
161079 |
P6_3/mmc (194) |
✔ |
4 |
32 |
3 |
0.6511 |
0.930 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BaZnF4 |
ICSD |
182609 |
Ccm2_1 (36) |
✗ |
12 |
100 |
2 |
4.6699 |
4.690 |
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 |
| PtN2 |
ICSD |
157940 |
Pmnn (58) |
✔ |
6 |
40 |
3 |
0.4621 |
0.732 |
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 |
| AlPO4 |
ICSD |
279582 |
P6_3mc (186) |
✗ |
12 |
64 |
3 |
5.6277 |
5.628 |
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 |
| Ca(AsO3)2 |
ICSD |
29534 |
P312 (149) |
✗ |
9 |
56 |
2 |
3.1687 |
3.461 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BaTiO3 |
ICSD |
237109 |
Cm2m (38) |
✗ |
5 |
40 |
3 |
1.7918 |
1.910 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| PbS |
ICSD |
183240 |
Cmcm (63) |
✔ |
4 |
40 |
2 |
1.2082 |
1.208 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| CdSe |
ICSD |
180931 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.3656 |
0.366 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| BaNaBi |
ICSD |
413810 |
P-62m (189) |
✗ |
9 |
72 |
1 |
0.0066 |
0.007 |
0.000 |
(1;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 |
| Ag3SI |
ICSD |
26450 |
R3 (146) |
✗ |
5 |
46 |
3 |
0.4408 |
1.001 |
0.000 |
(0;000) |
✔ |
28/11/16 |
| PbS |
ICSD |
183243 |
R3m (160) |
✗ |
2 |
20 |
2 |
0.9607 |
0.966 |
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 |
| CdSe |
ICSD |
415786 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.5591 |
0.559 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ag2HgI4 |
ICSD |
150343 |
I-4 (82) |
✗ |
7 |
62 |
3 |
1.0055 |
1.006 |
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 |
| BN |
ICSD |
162874 |
F-43m (216) |
✗ |
2 |
8 |
3 |
4.4968 |
8.945 |
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 |
| Ag2HgI4 |
ICSD |
6069 |
I-4 (82) |
✗ |
7 |
62 |
3 |
1.0269 |
1.027 |
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 |
| CdTe |
ICSD |
108238 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.528 |
0.528 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| PbO |
ICSD |
15402 |
Pmab (57) |
✔ |
8 |
80 |
2 |
1.8544 |
2.040 |
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 |
| PbSe |
ICSD |
74334 |
F2mm (42) |
✗ |
4 |
40 |
2 |
0.9339 |
0.934 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| PtO2 |
ICSD |
202407 |
Pmnn (58) |
✔ |
6 |
44 |
3 |
0.4791 |
0.746 |
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 |
| SnO2 |
ICSD |
157449 |
Pmnn (58) |
✔ |
6 |
52 |
3 |
1.3036 |
1.304 |
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 |
| Ca(AsO3)2 |
ICSD |
77379 |
P-31m (162) |
✔ |
9 |
56 |
2 |
2.9334 |
3.161 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CoAsS |
ICSD |
41758 |
Pca2_1 (29) |
✗ |
12 |
80 |
3 |
0.9695 |
1.147 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZrO2 |
ICSD |
164736 |
P4_2/nmc (137) |
✔ |
6 |
48 |
3 |
3.9588 |
4.029 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| P2Os |
ICSD |
42609 |
Pmnn (58) |
✔ |
6 |
52 |
3 |
0.727 |
1.144 |
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 |
| Sb2Os |
ICSD |
42611 |
Pmnn (58) |
✔ |
6 |
52 |
3 |
0.4307 |
0.991 |
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 |
| LiIO3 |
ICSD |
9508 |
P6_3 (173) |
✗ |
10 |
56 |
1 |
3.8139 |
3.877 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Plotting...
