HoUF7
Alexandria ALEXAlex-ID: agm024283975 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
HoU3F15 HoF3
2025-01-10 16:04:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024283975).
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 agm024283975
data_agm024283975
_cell_length_a 6.20340
_cell_length_b 6.10704
_cell_length_c 8.52981
_cell_angle_alpha 90.00000
_cell_angle_beta 102.14623
_cell_angle_gamma 90.00000
_cell_volume 315.91317
_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 0.31489 0.29589 0.72796 1.00000
Ho2 Ho 0.68511 0.79589 0.27204 1.00000
U1 U 0.15858 0.29728 0.19404 1.00000
U2 U 0.84142 0.79728 0.80596 1.00000
F1 F 0.98927 0.06301 0.99528 1.00000
F2 F 0.01073 0.56301 0.00472 1.00000
F3 F 0.41335 0.56012 0.25556 1.00000
F4 F 0.58665 0.06012 0.74444 1.00000
F5 F 0.41456 0.03456 0.25153 1.00000
F6 F 0.58544 0.53456 0.74847 1.00000
F7 F 0.92993 0.05398 0.28853 1.00000
F8 F 0.07007 0.55398 0.71147 1.00000
F9 F 0.27138 0.29756 0.46982 1.00000
F10 F 0.72862 0.79756 0.53018 1.00000
F11 F 0.35544 0.29804 0.98693 1.00000
F12 F 0.64456 0.79804 0.01307 1.00000
F13 F 0.91411 0.52282 0.28520 1.00000
F14 F 0.08589 0.02282 0.71480 1.00000
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