Sr(Zn2Au)2
Alexandria ALEXAlex-ID: agm003444875 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_486_spg139
Sr(Zn2Au)2
2022-02-20 07:27:53.533620
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003444875).
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 agm003444875
data_agm003444875
_cell_length_a 6.20296
_cell_length_b 6.20296
_cell_length_c 6.20296
_cell_angle_alpha 118.38376
_cell_angle_beta 118.38376
_cell_angle_gamma 92.82297
_cell_volume 172.66087
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.77715 0.50000 0.27715 1.00000
Zn2 Zn 0.50000 0.77715 0.27715 1.00000
Zn3 Zn 0.50000 0.22285 0.72285 1.00000
Zn4 Zn 0.22285 0.50000 0.72285 1.00000
Au1 Au 0.25000 0.75000 0.50000 1.00000
Au2 Au 0.75000 0.25000 0.50000 1.00000
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