Zn4Cd8Ga
Alexandria ALEXAlex-ID: agm097731056 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1664_spg8
Zn Cd Zn2Ga7
2025-06-19 22:18:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097731056).
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 agm097731056
data_agm097731056
_cell_length_a 3.12398
_cell_length_b 9.85605
_cell_length_c 9.94601
_cell_angle_alpha 121.35401
_cell_angle_beta 89.99697
_cell_angle_gamma 90.00405
_cell_volume 261.51793
_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 0.84699 0.78209 0.87653 1.00000
Zn2 Zn 0.84671 0.52066 0.90273 1.00000
Zn3 Zn 0.84681 0.48209 0.61544 1.00000
Zn4 Zn 0.34757 0.91860 0.46169 1.00000
Cd1 Cd 0.34578 0.34622 0.01062 1.00000
Cd2 Cd 0.34616 0.71988 0.60193 1.00000
Cd3 Cd 0.84582 0.62353 0.28641 1.00000
Cd4 Cd 0.84558 0.09961 0.34181 1.00000
Cd5 Cd 0.84579 0.04030 0.75281 1.00000
Cd6 Cd 0.34597 0.26200 0.65916 1.00000
Cd7 Cd 0.34545 0.36564 0.32863 1.00000
Cd8 Cd 0.34603 0.78582 0.12856 1.00000
Ga1 Ga 0.34534 0.05356 0.03369 1.00000
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