Er4ZnOsAu2
Alexandria ALEXAlex-ID: agm047811908 · 空间群: Pmmm (#47)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_467_spg10
Er5Os2Au Er4Zn3Os ErOs2 ErAu
2025-03-02 06:00:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047811908).
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 agm047811908
data_agm047811908
_cell_length_a 3.45107
_cell_length_b 7.12638
_cell_length_c 7.04631
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 173.29422
_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
Er1 Er 0.00000 0.23908 0.73916 1.00000
Er2 Er 0.00000 0.76092 0.26084 1.00000
Er3 Er 0.00000 0.23908 0.26084 1.00000
Er4 Er 0.00000 0.76092 0.73916 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Os1 Os 0.50000 0.00000 0.50000 1.00000
Au1 Au 0.50000 0.00000 0.00000 1.00000
Au2 Au 0.50000 0.50000 0.00000 1.00000
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