HoOF
Alexandria ALEXAlex-ID: agm005622285 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7497_spg19
HoOF
2023-06-18 04:05:59.023981
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005622285).
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 agm005622285
data_agm005622285
_cell_length_a 3.69206
_cell_length_b 4.08309
_cell_length_c 10.98851
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 165.65177
_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 0.24986 0.00332 0.39943 1.00000
Ho2 Ho 0.74986 0.49668 0.60057 1.00000
Ho3 Ho 0.75014 0.50332 0.10057 1.00000
Ho4 Ho 0.25014 0.99668 0.89943 1.00000
O1 O 0.74984 0.99425 0.51623 1.00000
O2 O 0.24984 0.50575 0.48377 1.00000
O3 O 0.25016 0.49425 0.98377 1.00000
O4 O 0.75016 0.00575 0.01623 1.00000
F1 F 0.74996 0.17792 0.27528 1.00000
F2 F 0.24996 0.32208 0.72472 1.00000
F3 F 0.25004 0.67792 0.22472 1.00000
F4 F 0.75004 0.82208 0.77528 1.00000
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