MgCd4
Alexandria ALEXAlex-ID: agm005410161 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_10_spg139
MgCd3 Cd
2023-03-17 17:29:07.801330
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005410161).
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
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# CIF generated by HEAS from Alexandria entry agm005410161
data_agm005410161
_cell_length_a 7.64506
_cell_length_b 7.64506
_cell_length_c 7.64506
_cell_angle_alpha 148.25690
_cell_angle_beta 148.25690
_cell_angle_gamma 45.50627
_cell_volume 123.27508
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.75000 0.25000 0.50000 1.00000
Cd2 Cd 0.40230 0.40230 0.00000 1.00000
Cd3 Cd 0.59770 0.59770 0.00000 1.00000
Cd4 Cd 0.25000 0.75000 0.50000 1.00000
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