HoZnOs
Alexandria ALEXAlex-ID: agm005697111 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_63_spg74
HoZn2 HoOs2
2023-06-18 14:38:50.777042
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697111).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005697111
data_agm005697111
_cell_length_a 5.32560
_cell_length_b 5.34699
_cell_length_c 5.34699
_cell_angle_alpha 59.83292
_cell_angle_beta 60.13225
_cell_angle_gamma 60.13224
_cell_volume 107.74185
_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
Ho1 Ho 0.88345 0.36655 0.36655 1.00000
Ho2 Ho 0.11655 0.63345 0.63345 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
Zn2 Zn 0.50000 0.00000 0.50000 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Os2 Os 0.50000 0.00000 0.00000 1.00000
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