Zn4Cd2Ag3
Alexandria ALEXAlex-ID: agm005644959 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_1373_spg74
Zn2Ag Cd2Ag
2023-06-29 07:50:54.949635
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644959).
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 agm005644959
data_agm005644959
_cell_length_a 5.18873
_cell_length_b 9.66998
_cell_length_c 9.66998
_cell_angle_alpha 118.47145
_cell_angle_beta 74.32726
_cell_angle_gamma 74.32725
_cell_volume 362.17560
_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 0.50467 0.77204 0.22478 1.00000
Zn2 Zn 0.99533 0.77522 0.22796 1.00000
Zn3 Zn 0.49533 0.22796 0.77522 1.00000
Zn4 Zn 0.00467 0.22478 0.77204 1.00000
Zn5 Zn 0.16360 0.33890 0.33935 1.00000
Zn6 Zn 0.33640 0.66065 0.66110 1.00000
Zn7 Zn 0.83640 0.66110 0.66065 1.00000
Zn8 Zn 0.66360 0.33935 0.33890 1.00000
Cd1 Cd 0.45767 0.13964 0.45064 1.00000
Cd2 Cd 0.04233 0.54936 0.86036 1.00000
Cd3 Cd 0.54233 0.86036 0.54936 1.00000
Cd4 Cd 0.95767 0.45064 0.13964 1.00000
Ag1 Ag 0.08969 0.05337 0.27368 1.00000
Ag2 Ag 0.41031 0.72632 0.94663 1.00000
Ag3 Ag 0.91031 0.94663 0.72632 1.00000
Ag4 Ag 0.58969 0.27368 0.05337 1.00000
Ag5 Ag 0.25000 0.62763 0.37237 1.00000
Ag6 Ag 0.75000 0.37237 0.62763 1.00000
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