HoThF7
Alexandria ALEXAlex-ID: agm024243533 · 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
ThF4 HoF3
2024-12-26 14:32:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024243533).
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 agm024243533
data_agm024243533
_cell_length_a 6.31453
_cell_length_b 6.15080
_cell_length_c 8.62434
_cell_angle_alpha 90.00000
_cell_angle_beta 101.50379
_cell_angle_gamma 90.00000
_cell_volume 328.23510
_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 0.81475 0.29593 0.72754 1.00000
Ho2 Ho 0.18525 0.79593 0.27246 1.00000
Th1 Th 0.66004 0.29840 0.19605 1.00000
Th2 Th 0.33996 0.79840 0.80395 1.00000
F1 F 0.48038 0.07278 0.99128 1.00000
F2 F 0.51962 0.57278 0.00872 1.00000
F3 F 0.92373 0.55916 0.25757 1.00000
F4 F 0.07627 0.05916 0.74243 1.00000
F5 F 0.91908 0.02990 0.25193 1.00000
F6 F 0.08092 0.52990 0.74807 1.00000
F7 F 0.42926 0.04988 0.28842 1.00000
F8 F 0.57074 0.54988 0.71158 1.00000
F9 F 0.76996 0.29877 0.47156 1.00000
F10 F 0.23004 0.79877 0.52844 1.00000
F11 F 0.85053 0.29543 0.98398 1.00000
F12 F 0.14947 0.79543 0.01602 1.00000
F13 F 0.41068 0.52363 0.28683 1.00000
F14 F 0.58932 0.02363 0.71317 1.00000
获取直接链接