NaHo2F7
Alexandria ALEXAlex-ID: agm005506325 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_269_spg1
NaHoF4 HoF3
2023-03-20 23:27:56.408345
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506325).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005506325
data_agm005506325
_cell_length_a 4.20932
_cell_length_b 4.25546
_cell_length_c 8.93300
_cell_angle_alpha 100.01269
_cell_angle_beta 90.99982
_cell_angle_gamma 102.27389
_cell_volume 153.72814
_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 0.07814 0.18728 0.00838 1.00000
Ho1 Ho 0.32847 0.74684 0.67710 1.00000
Ho2 Ho 0.59472 0.20271 0.33734 1.00000
F1 F 0.25993 0.65682 0.90077 1.00000
F2 F 0.40935 0.23408 0.61050 1.00000
F3 F 0.95404 0.48143 0.51093 1.00000
F4 F 0.86249 0.92280 0.75074 1.00000
F5 F 0.06185 0.05872 0.26644 1.00000
F6 F 0.50360 0.71767 0.40711 1.00000
F7 F 0.61407 0.29699 0.11402 1.00000
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