Al10Zn4CdSe20
Alexandria ALEXAlex-ID: agm021043733 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10D20_1_spg1
Al2CdSe4 Al2ZnSe4
2024-12-02 19:37:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021043733).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm021043733
data_agm021043733
_cell_length_a 5.66800
_cell_length_b 6.79600
_cell_length_c 25.20594
_cell_angle_alpha 91.31447
_cell_angle_beta 90.02049
_cell_angle_gamma 114.65987
_cell_volume 882.09398
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al1 Al 0.59517 0.18820 0.90293 1.00000
Al2 Al 0.19953 0.40067 0.30026 1.00000
Al3 Al 0.39696 0.79594 0.10236 1.00000
Al4 Al 0.80526 0.60871 0.69606 1.00000
Al5 Al 0.00245 0.00629 0.49831 1.00000
Al6 Al 0.29184 0.59127 0.95347 1.00000
Al7 Al 0.09736 0.19637 0.15141 1.00000
Al8 Al 0.90004 0.80137 0.34959 1.00000
Al9 Al 0.70273 0.40718 0.54793 1.00000
Al10 Al 0.50812 0.00390 0.74762 1.00000
Zn1 Zn 0.99240 0.98960 0.00280 1.00000
Zn2 Zn 0.79759 0.59672 0.20072 1.00000
Zn3 Zn 0.60065 0.20256 0.39920 1.00000
Zn4 Zn 0.40473 0.80889 0.59736 1.00000
Cd1 Cd 0.20398 0.40275 0.80028 1.00000
Se1 Se 0.49427 0.48956 0.12255 1.00000
Se2 Se 0.09981 0.70095 0.51934 1.00000
Se3 Se 0.29710 0.09496 0.32095 1.00000
Se4 Se 0.69037 0.88243 0.92433 1.00000
Se5 Se 0.89121 0.29725 0.71493 1.00000
Se6 Se 0.08631 0.67667 0.02943 1.00000
Se7 Se 0.69204 0.88738 0.42512 1.00000
Se8 Se 0.88946 0.28229 0.22698 1.00000
Se9 Se 0.30208 0.06512 0.82688 1.00000
Se10 Se 0.49325 0.49300 0.62320 1.00000
Se11 Se 0.97733 0.51008 0.88212 1.00000
Se12 Se 0.59237 0.71077 0.27632 1.00000
Se13 Se 0.78921 0.10600 0.07820 1.00000
Se14 Se 0.20168 0.91750 0.67406 1.00000
Se15 Se 0.39541 0.31674 0.47455 1.00000
Se16 Se 0.40568 0.29851 0.97820 1.00000
Se17 Se 0.01774 0.51300 0.37625 1.00000
Se18 Se 0.21478 0.90806 0.17830 1.00000
Se19 Se 0.64998 0.73062 0.77374 1.00000
Se20 Se 0.82109 0.11875 0.57422 1.00000
