Ca4ZnCd
Alexandria ALEXAlex-ID: agm005804473 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_506_spg123
Ca2Cd Ca5Zn2Cd Ca
2023-07-27 08:39:56.239752
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804473).
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 agm005804473
data_agm005804473
_cell_length_a 3.77991
_cell_length_b 3.77991
_cell_length_c 13.21478
_cell_angle_alpha 90.00061
_cell_angle_beta 90.00060
_cell_angle_gamma 90.00054
_cell_volume 188.80874
_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
Ca1 Ca 0.49996 0.49996 0.86617 1.00000
Ca2 Ca 0.50004 0.50004 0.13383 1.00000
Ca3 Ca 0.99997 0.99997 0.64553 1.00000
Ca4 Ca 0.00003 0.00003 0.35447 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.50000 0.50000 0.50000 1.00000
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