| ▹ Formula |
▹ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▹ dim |
▹ gap |
▹ dir. gap |
▹ met. |
▴ ν |
wcc |
▹ updated |
| AgNO2 |
ICSD |
26750 |
Imm2 (44) |
✗ |
4 |
28 |
3 |
1.5341 |
1.989 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AgNO3 |
ICSD |
35157 |
R3m (160) |
✗ |
5 |
34 |
3 |
2.0793 |
2.425 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AgNO3 |
ICSD |
374 |
R3c (161) |
✗ |
10 |
68 |
3 |
1.7072 |
1.921 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TaAgO3 |
ICSD |
40830 |
R3c (161) |
✗ |
10 |
84 |
3 |
2.0218 |
2.039 |
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 |
| KCuS |
ICSD |
49008 |
P2_1cn (33) |
✗ |
12 |
104 |
1 |
1.8268 |
1.849 |
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 |
| YAgSn |
ICSD |
416375 |
P6_3mc (186) |
✗ |
6 |
72 |
3 |
0.0 |
0.000 |
0.211 |
(0;000) |
✔ |
06/10/16 |
| Ag2GeS3 |
ICSD |
41711 |
Cmc2_1 (36) |
✗ |
12 |
88 |
3 |
0.1033 |
0.103 |
0.000 |
(0;000) |
✔ |
28/11/16 |
| Ag2HgI4 |
ICSD |
150343 |
I-4 (82) |
✗ |
7 |
62 |
3 |
1.0055 |
1.006 |
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 |
| Ag2HgI4 |
ICSD |
6069 |
I-4 (82) |
✗ |
7 |
62 |
3 |
1.0269 |
1.027 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ag2TeS3 |
ICSD |
85135 |
Cc (9) |
✗ |
12 |
92 |
3 |
1.0746 |
1.075 |
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 |
| Ag3SI |
ICSD |
174095 |
R3 (146) |
✗ |
5 |
46 |
3 |
0.4293 |
0.829 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| Ag3SI |
ICSD |
201005 |
R3 (146) |
✗ |
5 |
46 |
3 |
0.4545 |
1.022 |
0.000 |
(0;000) |
✔ |
28/11/16 |
| Ag3SI |
ICSD |
26450 |
R3 (146) |
✗ |
5 |
46 |
3 |
0.4408 |
1.001 |
0.000 |
(0;000) |
✔ |
28/11/16 |
| Ag3SI |
ICSD |
93431 |
R3 (146) |
✗ |
5 |
46 |
3 |
0.4794 |
0.925 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| AlB3N4 |
ICSD |
187053 |
P-43m (215) |
✗ |
8 |
32 |
3 |
4.1581 |
4.158 |
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 |
| AlBN2 |
ICSD |
187052 |
P-4m2 (115) |
✗ |
4 |
16 |
3 |
3.7482 |
3.773 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AlGaN2 |
ICSD |
187055 |
P-4m2 (115) |
✗ |
4 |
26 |
3 |
2.845 |
2.845 |
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 |
| TeO2 |
ICSD |
62897 |
P4_32_12 (96) |
✗ |
12 |
72 |
3 |
2.9657 |
3.040 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi(BO2)3 |
ICSD |
245897 |
C2 (5) |
✗ |
10 |
50 |
3 |
3.6445 |
4.025 |
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 |
| Li2O2 |
ICSD |
24143 |
P6_3/mmc (194) |
✔ |
8 |
36 |
2 |
2.7201 |
2.720 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CdI2 |
ICSD |
38116 |
P6_3mc (186) |
✗ |
6 |
52 |
2 |
1.9181 |
2.127 |
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 |
| TeO2 |
ICSD |
161691 |
P4_12_12 (92) |
✗ |
12 |
72 |
3 |
2.4087 |
2.488 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AuN |
ICSD |
167882 |
F-43m (216) |
✗ |
2 |
16 |
3 |
0.0 |
0.000 |
0.871 |
(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 |
| LaSn |
ICSD |
423421 |
Cmcm (63) |
✔ |
4 |
34 |
3 |
0.0 |
0.000 |
0.738 |
(0;000) |
✗ |
06/10/16 |
| Ca2Sb |
ICSD |
154 |
I4mm (107) |
✗ |
6 |
50 |
1 |
0.0 |
0.091 |
0.055 |
(0;000) |
✔ |
06/10/16 |
| LaSi |
ICSD |
408030 |
Ccmm (63) |
✔ |
8 |
28 |
3 |
0.0 |
0.019 |
0.484 |
(0;000) |
✗ |
06/10/16 |
| SiO2 |
ICSD |
75669 |
P2 (3) |
✗ |
12 |
64 |
3 |
1.7784 |
1.964 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CaBiAu |
ICSD |
248681 |
P6_3mc (186) |
✗ |
6 |
52 |
3 |
0.0 |
0.039 |
0.081 |
(0;000) |
✔ |
06/10/16 |
| LaRh |
ICSD |
641721 |
Ccmm (63) |
✔ |
4 |
40 |
3 |
0.0 |
0.011 |
0.109 |
(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 |
| CaF2 |
ICSD |
51239 |
Pmc2_1 (26) |
✗ |
6 |
48 |
1 |
6.5997 |
6.813 |
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 |
| CrBr2 |
ICSD |
23903 |
C2/m (12) |
✔ |
3 |
28 |
2 |
0.0 |
0.045 |
0.565 |
(0;000) |
✔ |
27/01/17 |
| K3Sb |
ICSD |
641351 |
Fm-3m (225) |
✔ |
4 |
32 |
1 |
0.6121 |
0.612 |
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 |
| SiO2 |
ICSD |
75657 |
C2 (5) |
✗ |
12 |
64 |
3 |
5.553 |
5.591 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AgCl |
ICSD |
56541 |
P2_1/m (11) |
✔ |
4 |
36 |
3 |
0.6845 |
2.523 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| KBrO3 |
ICSD |
33663 |
R3m (160) |
✗ |
5 |
34 |
1 |
3.1451 |
3.145 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Rb4CO4 |
ICSD |
245440 |
P-4 (81) |
✗ |
9 |
64 |
3 |
0.3459 |
0.577 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| TaCuO3 |
ICSD |
164934 |
R3c (161) |
✗ |
10 |
84 |
3 |
0.8785 |
0.879 |
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 |
| CaSiPt |
ICSD |
72640 |
P2_13 (198) |
✗ |
12 |
96 |
3 |
0.0 |
0.000 |
0.533 |
(0;000) |
✔ |
05/12/16 |
| CaCl2 |
ICSD |
51238 |
Pm2_1n (31) |
✗ |
6 |
48 |
1 |
0.051 |
0.084 |
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 |
| KClO3 |
ICSD |
9483 |
R3m (160) |
✗ |
5 |
34 |
2 |
0.924 |
0.993 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| C3N4 |
ICSD |
83264 |
P-43m (215) |
✗ |
7 |
32 |
3 |
2.5786 |
2.579 |
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 |
| InSb |
ICSD |
156995 |
Cmcm (63) |
✔ |
4 |
36 |
3 |
0.0 |
0.022 |
0.498 |
(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 |
| KBrO3 |
ICSD |
47173 |
R3m (160) |
✗ |
5 |
34 |
1 |
3.909 |
3.909 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CsGeCl3 |
ICSD |
23121 |
R3 (146) |
✗ |
5 |
34 |
1 |
2.3076 |
2.309 |
0.000 |
(0;000) |
✗ |
28/10/16 |
| C3N4 |
ICSD |
248430 |
P-6 (174) |
✗ |
7 |
32 |
1 |
0.0 |
0.001 |
0.871 |
(0;000) |
✔ |
06/10/16 |
| SiO2 |
ICSD |
170513 |
R3 (146) |
✗ |
9 |
48 |
0 |
5.7129 |
5.713 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Sn3As4 |
ICSD |
163834 |
P-43m (215) |
✗ |
7 |
62 |
3 |
0.3902 |
0.463 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| PI2 |
ICSD |
203216 |
P-1 (2) |
✔ |
6 |
38 |
1 |
1.5597 |
1.560 |
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 |
| SiO2 |
ICSD |
170510 |
I4_122 (98) |
✗ |
12 |
64 |
3 |
5.05 |
5.050 |
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 |
| SbI3 |
ICSD |
26082 |
R-3 (148) |
✔ |
8 |
52 |
2 |
1.7182 |
1.827 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| SiO2 |
ICSD |
162660 |
I-42d (122) |
✗ |
6 |
32 |
3 |
5.8944 |
5.894 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| LaI3 |
ICSD |
31596 |
Cmcm (63) |
✔ |
8 |
48 |
2 |
1.1147 |
1.359 |
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 |
| SiO2 |
ICSD |
162612 |
P6_222 (180) |
✗ |
9 |
48 |
3 |
5.633 |
5.840 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CuN |
ICSD |
161756 |
F-43m (216) |
✗ |
2 |
16 |
3 |
0.0 |
0.009 |
0.871 |
(0;000) |
✔ |
06/10/16 |
| TlI |
ICSD |
26761 |
Ccmm (63) |
✔ |
4 |
40 |
2 |
1.4715 |
1.656 |
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 |
| SiO2 |
ICSD |
154289 |
P3_121 (152) |
✗ |
9 |
48 |
3 |
5.9953 |
6.285 |
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 |
| Hg4Pt |
ICSD |
639148 |
Im-3m (229) |
✔ |
5 |
58 |
3 |
0.0 |
0.659 |
0.309 |
(0;000) |
✗ |
27/01/17 |
| SiO2 |
ICSD |
153886 |
P4_12_12 (92) |
✗ |
12 |
64 |
3 |
5.6311 |
5.636 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| C3N4 |
ICSD |
246660 |
R3m (160) |
✗ |
7 |
32 |
2 |
1.2528 |
1.275 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| NiHg4 |
ICSD |
151197 |
Im-3m (229) |
✔ |
5 |
58 |
3 |
0.0 |
0.120 |
0.417 |
(0;000) |
✗ |
27/01/17 |
| SiO2 |
ICSD |
153453 |
P3_1 (144) |
✗ |
9 |
48 |
0 |
5.9943 |
6.284 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Si3As4 |
ICSD |
163832 |
P-42m (111) |
✗ |
7 |
32 |
3 |
0.3934 |
0.501 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| NaHg |
ICSD |
104326 |
Ccmm (63) |
✔ |
8 |
84 |
3 |
0.0 |
0.014 |
0.562 |
(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 |
| PtO2 |
ICSD |
24923 |
P6_3mc (186) |
✗ |
6 |
44 |
2 |
1.4599 |
1.605 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SrC2 |
ICSD |
91051 |
C2/c (15) |
✔ |
6 |
36 |
1 |
2.457 |
2.716 |
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 |
| BPO4 |
ICSD |
150371 |
I-4 (82) |
✗ |
6 |
32 |
3 |
7.5837 |
7.792 |
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 |
| HfS2 |
ICSD |
601164 |
P-3m1 (164) |
✔ |
3 |
24 |
2 |
0.9936 |
1.854 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ge3As4 |
ICSD |
163833 |
P-42m (111) |
✗ |
7 |
32 |
3 |
0.138 |
0.212 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| HfPt |
ICSD |
638781 |
Cmcm (63) |
✔ |
4 |
44 |
3 |
0.0 |
0.014 |
0.435 |
(0;000) |
✗ |
27/01/17 |
| ZnO |
ICSD |
154486 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.7686 |
0.769 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| IrC2 |
ICSD |
181488 |
C2/m (12) |
✔ |
6 |
34 |
3 |
0.0 |
0.078 |
0.242 |
(0;000) |
✔ |
06/10/16 |
| Li4CO4 |
ICSD |
245388 |
P-43m (215) |
✗ |
9 |
40 |
1 |
4.7041 |
5.033 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Plotting...
