DyZn3Au
Alexandria ALEXAlex-ID: agm005725828 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_7287_spg44
Dy3Zn6Au5 DyZnAu Dy2Zn17
2023-07-06 05:35:38.240792
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005725828).
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 agm005725828
data_agm005725828
_cell_length_a 4.97420
_cell_length_b 4.97420
_cell_length_c 4.70198
_cell_angle_alpha 62.57503
_cell_angle_beta 62.57504
_cell_angle_gamma 77.26275
_cell_volume 91.65409
_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
Dy1 Dy 0.59876 0.59876 0.80085 1.00000
Zn1 Zn 0.30103 0.90729 0.29480 1.00000
Zn2 Zn 0.90729 0.30103 0.29480 1.00000
Zn3 Zn 0.89560 0.89560 0.01005 1.00000
Au1 Au 0.29852 0.29852 0.59710 1.00000
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