HoUF7
Alexandria ALEXAlex-ID: agm024280423 · 空间群: P2_1/m (#11)
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
2024-12-18 01:58:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024280423).
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 agm024280423
data_agm024280423
_cell_length_a 6.26626
_cell_length_b 6.00545
_cell_length_c 8.54920
_cell_angle_alpha 90.00000
_cell_angle_beta 103.85983
_cell_angle_gamma 90.00000
_cell_volume 312.35411
_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 0.64570 0.29729 0.68336 1.00000
Ho2 Ho 0.35430 0.79729 0.31664 1.00000
U1 U 0.81788 0.29685 0.22604 1.00000
U2 U 0.18212 0.79685 0.77396 1.00000
F1 F 0.49969 0.04859 0.49936 1.00000
F2 F 0.50031 0.54859 0.50064 1.00000
F3 F 0.91297 0.55320 0.75420 1.00000
F4 F 0.08703 0.05320 0.24580 1.00000
F5 F 0.91539 0.04362 0.75367 1.00000
F6 F 0.08461 0.54362 0.24633 1.00000
F7 F 0.42796 0.06407 0.79151 1.00000
F8 F 0.57204 0.56407 0.20849 1.00000
F9 F 0.77405 0.29728 0.96881 1.00000
F10 F 0.22595 0.79728 0.03119 1.00000
F11 F 0.86162 0.29832 0.48404 1.00000
F12 F 0.13838 0.79832 0.51596 1.00000
F13 F 0.42321 0.52463 0.79087 1.00000
F14 F 0.57679 0.02463 0.20913 1.00000
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