Ho(Fe2Os)4
Alexandria ALEXAlex-ID: agm097948868 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1285_spg6
Os Fe HoOs2
2025-06-15 06:40:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097948868).
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 agm097948868
data_agm097948868
_cell_length_a 4.13951
_cell_length_b 6.99573
_cell_length_c 7.09654
_cell_angle_alpha 120.58618
_cell_angle_beta 90.00081
_cell_angle_gamma 90.00058
_cell_volume 176.91478
_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 0.42296 0.92122 0.99731 1.00000
Fe1 Fe 0.92308 0.80149 0.28160 1.00000
Fe2 Fe 0.42312 0.37735 0.32912 1.00000
Fe3 Fe 0.92308 0.20361 0.40942 1.00000
Fe4 Fe 0.42310 0.78549 0.53887 1.00000
Fe5 Fe 0.42313 0.06557 0.46233 1.00000
Fe6 Fe 0.42306 0.60902 0.15563 1.00000
Fe7 Fe 0.42305 0.46464 0.68148 1.00000
Fe8 Fe 0.42311 0.24892 0.86605 1.00000
Os1 Os 0.92310 0.34874 0.13450 1.00000
Os2 Os 0.92305 0.50100 0.86873 1.00000
Os3 Os 0.92308 0.62792 0.57748 1.00000
Os4 Os 0.92308 0.04503 0.69748 1.00000
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