| ▹ Formula |
▹ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▹ dim |
▹ gap |
▹ dir. gap |
▴ met. |
▹ ν |
wcc |
▹ updated |
| BiTe |
ICSD |
100654 |
P-3m1 (164) |
✔ |
12 |
126 |
2 |
0.0457 |
0.097 |
0.000 |
(0;001) |
✗ |
06/10/16 |
| HgO |
ICSD |
24062 |
P3_121 (152) |
✗ |
6 |
54 |
3 |
1.2097 |
1.356 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| HgO |
ICSD |
639125 |
P3_221 (154) |
✗ |
6 |
54 |
3 |
1.4576 |
1.628 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiPt |
ICSD |
248491 |
Pmnb (62) |
✔ |
8 |
56 |
1 |
0.0138 |
0.018 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| HgO2 |
ICSD |
48214 |
C2/m (12) |
✔ |
3 |
24 |
3 |
0.8828 |
1.430 |
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 |
| Al2O3 |
ICSD |
169722 |
C2/c (15) |
✔ |
10 |
48 |
3 |
9.3608 |
9.361 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ga3BN4 |
ICSD |
187048 |
P-43m (215) |
✗ |
8 |
62 |
3 |
2.5318 |
2.532 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| HgS |
ICSD |
169614 |
P3_221 (154) |
✗ |
6 |
54 |
3 |
1.5136 |
1.570 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2O3 |
ICSD |
15072 |
P2_1/c (14) |
✔ |
20 |
112 |
3 |
2.2283 |
2.259 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BrCl |
ICSD |
424850 |
Cmc2_1 (36) |
✗ |
4 |
28 |
1 |
1.895 |
1.911 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2O3 |
ICSD |
168811 |
Fd-3m (227) |
✔ |
20 |
112 |
1 |
2.1934 |
2.260 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2O3 |
ICSD |
168815 |
Pnab (60) |
✔ |
20 |
112 |
3 |
1.6331 |
1.633 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2O3 |
ICSD |
172529 |
Pbnb (56) |
✔ |
20 |
112 |
3 |
2.2888 |
2.289 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2O3 |
ICSD |
186365 |
P-3m1 (164) |
✔ |
5 |
48 |
3 |
0.4261 |
1.051 |
0.000 |
(0;000) |
✗ |
05/01/17 |
| Bi2O3 |
ICSD |
261777 |
Pccn (56) |
✔ |
20 |
112 |
3 |
2.3002 |
2.300 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BiO2 |
ICSD |
79500 |
C2/c (15) |
✔ |
12 |
68 |
3 |
1.4798 |
1.526 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CuBr |
ICSD |
23989 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.3072 |
0.310 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| HgTe |
ICSD |
162603 |
P3_121 (152) |
✗ |
6 |
54 |
0 |
0.1243 |
0.414 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| AlBiO3 |
ICSD |
171708 |
R3c (161) |
✗ |
10 |
52 |
3 |
2.5618 |
2.727 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CuBr |
ICSD |
30091 |
P6_3/mmc (194) |
✔ |
4 |
36 |
3 |
0.4343 |
0.434 |
0.000 |
(0;000) |
✔ |
27/01/17 |
| AlAgS2 |
ICSD |
25356 |
P3m1 (156) |
✗ |
4 |
26 |
3 |
1.7772 |
1.844 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| LiI |
ICSD |
414242 |
P6_3mc (186) |
✗ |
4 |
20 |
1 |
4.1367 |
4.137 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BrF3 |
ICSD |
31689 |
Ccm2_1 (36) |
✗ |
8 |
56 |
1 |
2.3987 |
2.540 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2S3 |
ICSD |
153946 |
Pmnb (62) |
✔ |
20 |
112 |
2 |
0.9478 |
0.980 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2S3 |
ICSD |
201066 |
Pmcn (62) |
✔ |
20 |
112 |
2 |
0.9742 |
1.010 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CO2 |
ICSD |
188893 |
Cmce (64) |
✔ |
6 |
32 |
1 |
0.8836 |
1.332 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| PbI2 |
ICSD |
24263 |
P6_3mc (186) |
✗ |
6 |
56 |
2 |
1.4242 |
1.424 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2Se3 |
ICSD |
165226 |
R-3m (166) |
✔ |
5 |
28 |
2 |
0.2932 |
0.375 |
0.000 |
(1;000) |
✗ |
06/10/16 |
| Bi2Se3 |
ICSD |
171571 |
Pmnb (62) |
✔ |
20 |
112 |
2 |
0.5886 |
0.597 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2Se3 |
ICSD |
60205 |
Pmcn (62) |
✔ |
20 |
112 |
2 |
0.5886 |
0.597 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Bi2Te3 |
ICSD |
15753 |
R-3m (166) |
✔ |
5 |
28 |
2 |
0.0867 |
0.094 |
0.000 |
(1;000) |
✗ |
06/10/16 |
| Al2Se3 |
ICSD |
14373 |
Cc (9) |
✗ |
10 |
48 |
3 |
1.5341 |
1.554 |
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 |
| SnI4 |
ICSD |
18010 |
P-43m (215) |
✗ |
5 |
42 |
1 |
0.8791 |
0.882 |
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 |
| CdBr2 |
ICSD |
25782 |
P6_3mc (186) |
✗ |
6 |
52 |
2 |
2.6943 |
2.694 |
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 |
| HgBr2 |
ICSD |
151889 |
P3 (143) |
✗ |
9 |
78 |
2 |
1.0032 |
1.272 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Al2Te5 |
ICSD |
78941 |
C2/m (12) |
✔ |
7 |
36 |
3 |
0.768 |
1.019 |
0.000 |
(0;000) |
✗ |
30/01/17 |
| Bi4O7 |
ICSD |
51778 |
P-1 (2) |
✔ |
22 |
124 |
3 |
1.173 |
1.280 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| InP |
ICSD |
165466 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.3939 |
0.394 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| InP |
ICSD |
180911 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.5486 |
0.549 |
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 |
| HgBr2 |
ICSD |
36158 |
Ccm2_1 (36) |
✗ |
6 |
52 |
2 |
2.1612 |
2.218 |
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 |
| InBr |
ICSD |
23126 |
Ccmm (63) |
✔ |
4 |
40 |
3 |
1.3218 |
1.469 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TlBr |
ICSD |
109144 |
Cmcm (63) |
✔ |
4 |
40 |
2 |
1.8054 |
1.828 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| CaBr2 |
ICSD |
14220 |
Pmnn (58) |
✔ |
6 |
48 |
1 |
4.4866 |
4.487 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| BAs |
ICSD |
181292 |
F-43m (216) |
✗ |
2 |
8 |
3 |
1.0744 |
3.121 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SBr |
ICSD |
37020 |
Cc2e (41) |
✗ |
8 |
52 |
1 |
2.0962 |
2.254 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Al2ZnSe4 |
ICSD |
181354 |
I-4 (82) |
✗ |
7 |
42 |
3 |
2.1157 |
2.116 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| InSe |
ICSD |
1884 |
R3m (160) |
✗ |
4 |
38 |
2 |
0.4229 |
0.424 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| LaBr3 |
ICSD |
31581 |
P2_1/m (11) |
✔ |
8 |
48 |
3 |
3.1889 |
3.189 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| InSe |
ICSD |
32714 |
C2/m (12) |
✔ |
4 |
38 |
2 |
1.1651 |
1.346 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| SeBr |
ICSD |
37019 |
Cc2e (41) |
✗ |
8 |
52 |
1 |
1.6226 |
1.760 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| NbBr5 |
ICSD |
409917 |
P-1 (2) |
✔ |
12 |
96 |
1 |
0.1833 |
0.196 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| WBr6 |
ICSD |
62048 |
R-3 (148) |
✔ |
7 |
56 |
1 |
0.6302 |
0.630 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| InBr3 |
ICSD |
65198 |
C2/m (12) |
✔ |
8 |
68 |
2 |
2.6722 |
2.697 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| Rb2Te |
ICSD |
55115 |
Fm-3m (225) |
✔ |
3 |
24 |
1 |
1.7624 |
1.976 |
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 |
| CO2 |
ICSD |
110776 |
Pnnm (58) |
✔ |
6 |
32 |
1 |
2.2578 |
3.149 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| IrBr3 |
ICSD |
14212 |
C2/m (12) |
✔ |
8 |
60 |
2 |
1.4173 |
1.460 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CS2 |
ICSD |
15672 |
Cmce (64) |
✔ |
6 |
32 |
1 |
0.3788 |
0.877 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CSe2 |
ICSD |
60374 |
Cmce (64) |
✔ |
6 |
32 |
1 |
1.8396 |
2.057 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| GaAs |
ICSD |
107946 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.4268 |
0.427 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| CaC2 |
ICSD |
66663 |
P-1 (2) |
✔ |
6 |
36 |
1 |
2.4633 |
3.084 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CaC2 |
ICSD |
74665 |
I4/mmm (139) |
✔ |
3 |
18 |
1 |
1.6401 |
2.615 |
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 |
| HfTe5 |
ICSD |
85508 |
Cmcm (63) |
✔ |
12 |
84 |
2 |
0.0829 |
0.086 |
0.000 |
(1;110) |
✗ |
06/10/16 |
| KSb2 |
ICSD |
80945 |
C2/m (12) |
✔ |
6 |
38 |
1 |
0.1801 |
0.569 |
0.000 |
(0;000) |
✔ |
02/02/17 |
| GaAs |
ICSD |
190423 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.685 |
0.685 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| K2Se3 |
ICSD |
1264 |
Ccm2_1 (36) |
✗ |
10 |
72 |
1 |
0.7025 |
0.851 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AlPO4 |
ICSD |
417474 |
P2_1 (4) |
✗ |
12 |
64 |
3 |
5.6739 |
5.674 |
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 |
| CuAgS |
ICSD |
66582 |
Pmc2_1 (26) |
✗ |
12 |
112 |
3 |
0.7416 |
0.819 |
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 |
| Ga2Te5 |
ICSD |
1085 |
I4/m (87) |
✔ |
7 |
56 |
3 |
0.8135 |
0.828 |
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 |
| PtN2 |
ICSD |
157940 |
Pmnn (58) |
✔ |
6 |
40 |
3 |
0.4621 |
0.732 |
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 |
| InS |
ICSD |
15931 |
Pnnm (58) |
✔ |
8 |
76 |
3 |
0.6548 |
1.429 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| Li2S |
ICSD |
91283 |
P2_1nb (33) |
✗ |
12 |
48 |
1 |
2.808 |
3.650 |
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 |
| SnTe |
ICSD |
652743 |
Pnma (62) |
✔ |
8 |
80 |
2 |
0.1727 |
0.276 |
0.000 |
(0;000) |
✗ |
02/02/17 |
| AlPO4 |
ICSD |
98379 |
C222_1 (20) |
✗ |
12 |
64 |
3 |
5.7722 |
5.772 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| CF4 |
ICSD |
2848 |
C2/c (15) |
✔ |
10 |
64 |
1 |
9.4116 |
9.472 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| KSnAs |
ICSD |
40815 |
Ccm2_1 (36) |
✗ |
6 |
56 |
0 |
0.4164 |
0.458 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| InCl |
ICSD |
2430 |
Cmcm (63) |
✔ |
4 |
40 |
1 |
1.443 |
1.529 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| MgO |
ICSD |
161842 |
P6_3mc (186) |
✗ |
4 |
32 |
3 |
3.6457 |
3.646 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TlCl |
ICSD |
109143 |
Cmcm (63) |
✔ |
4 |
40 |
1 |
2.1142 |
2.114 |
0.000 |
(0;000) |
✗ |
27/01/17 |
| MgO |
ICSD |
166273 |
P-6m2 (187) |
✗ |
2 |
16 |
3 |
2.2858 |
2.517 |
0.000 |
(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 |
| MgCl2 |
ICSD |
51247 |
P-1 (2) |
✔ |
6 |
48 |
3 |
2.4906 |
2.491 |
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 |
| PdCl2 |
ICSD |
30209 |
Pmnn (58) |
✔ |
6 |
48 |
1 |
0.7678 |
1.190 |
0.000 |
(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 |
| PtCl2 |
ICSD |
44512 |
Pnnm (58) |
✔ |
6 |
48 |
1 |
0.946 |
1.300 |
0.000 |
(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 |
| Cd(GaS2)2 |
ICSD |
184995 |
I-4 (82) |
✗ |
7 |
62 |
3 |
2.0642 |
2.066 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Plotting...
