HoGeF7
Alexandria ALEXAlex-ID: agm024114902 · 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
HoGeF7
2024-11-05 10:17:15.247232
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024114902).
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 agm024114902
data_agm024114902
_cell_length_a 5.49680
_cell_length_b 5.83126
_cell_length_c 7.96445
_cell_angle_alpha 76.96415
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 248.70790
_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 0.75106 0.15900 0.80828 1.00000
Ho2 Ho 0.25106 0.84100 0.19172 1.00000
Ge1 Ge 0.76365 0.31269 0.27616 1.00000
Ge2 Ge 0.26365 0.68731 0.72384 1.00000
F1 F 0.43918 0.06010 0.97856 1.00000
F2 F 0.93918 0.93990 0.02144 1.00000
F3 F 0.50324 0.46732 0.72968 1.00000
F4 F 0.00324 0.53268 0.27032 1.00000
F5 F 0.75696 0.27503 0.50903 1.00000
F6 F 0.25696 0.72497 0.49097 1.00000
F7 F 0.03702 0.44897 0.74384 1.00000
F8 F 0.53702 0.55103 0.25616 1.00000
F9 F 0.50652 0.90967 0.69958 1.00000
F10 F 0.00652 0.09033 0.30042 1.00000
F11 F 0.52896 0.08705 0.29450 1.00000
F12 F 0.02896 0.91295 0.70550 1.00000
F13 F 0.77538 0.36305 0.04329 1.00000
F14 F 0.27538 0.63695 0.95671 1.00000
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