HoTlF4
Alexandria ALEXAlex-ID: agm005803645 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1760_spg63
HoTl2F5 Ho2TlF7
2023-07-28 07:05:13.362007
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803645).
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 agm005803645
data_agm005803645
_cell_length_a 4.38990
_cell_length_b 6.50116
_cell_length_c 9.11758
_cell_angle_alpha 90.00000
_cell_angle_beta 103.93009
_cell_angle_gamma 90.00000
_cell_volume 252.55760
_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 0.08400 0.75000 0.16799 1.00000
Ho2 Ho 0.91600 0.25000 0.83201 1.00000
Tl1 Tl 0.30851 0.75000 0.61702 1.00000
Tl2 Tl 0.69149 0.25000 0.38298 1.00000
F1 F 0.17371 0.52651 0.34741 1.00000
F2 F 0.82629 0.47349 0.65259 1.00000
F3 F 0.17371 0.97349 0.34741 1.00000
F4 F 0.82629 0.02651 0.65259 1.00000
F5 F 0.58104 0.75000 0.16208 1.00000
F6 F 0.41896 0.25000 0.83792 1.00000
F7 F 0.00000 0.50000 0.00000 1.00000
F8 F 0.00000 0.00000 0.00000 1.00000
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