ZnCdGaAg
Alexandria ALEXAlex-ID: agm005196555 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_148_spg38
Zn15Ag Cd2Ag Ga4Ag3 Zn2Ga7
2022-07-11 16:30:11.347535
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005196555).
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 agm005196555
data_agm005196555
_cell_length_a 2.98658
_cell_length_b 2.98658
_cell_length_c 8.38520
_cell_angle_alpha 96.34422
_cell_angle_beta 83.65578
_cell_angle_gamma 94.22927
_cell_volume 73.73646
_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 0.13586 0.86414 0.23642 1.00000
Cd1 Cd 0.62694 0.37306 0.97744 1.00000
Ga1 Ga 0.64945 0.35055 0.46262 1.00000
Ag1 Ag 0.17269 0.82731 0.71228 1.00000
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