NaHo2F7
Alexandria ALEXAlex-ID: agm002149149 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_0_spg166
NaHoF4 HoF3
2018-06-05 20:19:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002149149).
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 agm002149149
data_agm002149149
_cell_length_a 3.94347
_cell_length_b 3.94350
_cell_length_c 10.93297
_cell_angle_alpha 79.63906
_cell_angle_beta 79.63895
_cell_angle_gamma 60.00005
_cell_volume 144.03111
_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
Na1 Na 0.30986 0.35708 0.65948 1.00000
Ho1 Ho 0.87829 0.92533 0.95445 1.00000
Ho2 Ho 0.74112 0.78848 0.36449 1.00000
F1 F 0.53072 0.57778 0.99729 1.00000
F2 F 0.39170 0.43905 0.41297 1.00000
F3 F 0.80978 0.85692 0.15946 1.00000
F4 F 0.08871 0.13606 0.32162 1.00000
F5 F 0.94456 0.99170 0.75483 1.00000
F6 F 0.67490 0.72221 0.56409 1.00000
F7 F 0.22767 0.27474 0.90598 1.00000
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