CeHoF7
Alexandria ALEXAlex-ID: agm024210883 · 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
Ce3HoF15 HoF3
2024-11-15 15:48:31.983265
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024210883).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm024210883
data_agm024210883
_cell_length_a 5.99069
_cell_length_b 6.24919
_cell_length_c 8.51835
_cell_angle_alpha 76.37468
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 309.92634
_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
Ce1 Ce 0.70372 0.18085 0.22600 1.00000
Ce2 Ce 0.20372 0.81915 0.77400 1.00000
Ho1 Ho 0.70266 0.35428 0.68340 1.00000
Ho2 Ho 0.20266 0.64572 0.31660 1.00000
F1 F 0.94932 0.50062 0.49823 1.00000
F2 F 0.44932 0.49938 0.50177 1.00000
F3 F 0.44161 0.09035 0.75464 1.00000
F4 F 0.94161 0.90965 0.24536 1.00000
F5 F 0.95574 0.08223 0.75407 1.00000
F6 F 0.45574 0.91777 0.24593 1.00000
F7 F 0.94203 0.57095 0.79147 1.00000
F8 F 0.44203 0.42905 0.20853 1.00000
F9 F 0.70105 0.22960 0.96723 1.00000
F10 F 0.20105 0.77040 0.03277 1.00000
F11 F 0.69977 0.13734 0.48497 1.00000
F12 F 0.19977 0.86266 0.51503 1.00000
F13 F 0.48044 0.58632 0.78926 1.00000
F14 F 0.98044 0.41368 0.21074 1.00000
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