Zn7Cd3In2
Alexandria ALEXAlex-ID: agm024396221 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_3_spg166
Cd4In3 Zn Cd
2025-05-17 17:36:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024396221).
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}
}
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# CIF generated by HEAS from Alexandria entry agm024396221
data_agm024396221
_cell_length_a 11.24757
_cell_length_b 11.24757
_cell_length_c 11.24757
_cell_angle_alpha 26.37974
_cell_angle_beta 26.37974
_cell_angle_gamma 26.37974
_cell_volume 247.56779
_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
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Zn2 Zn 0.09250 0.59905 0.59905 1.00000
Zn3 Zn 0.59905 0.59905 0.09250 1.00000
Zn4 Zn 0.59905 0.09250 0.59905 1.00000
Zn5 Zn 0.90750 0.40095 0.40095 1.00000
Zn6 Zn 0.40095 0.90750 0.40095 1.00000
Zn7 Zn 0.40095 0.40095 0.90750 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.14012 0.14012 0.14012 1.00000
Cd3 Cd 0.85988 0.85988 0.85988 1.00000
In1 In 0.35283 0.35283 0.35283 1.00000
In2 In 0.64717 0.64717 0.64717 1.00000
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