HoH3F6
Alexandria ALEXAlex-ID: agm071031985 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_2657_spg212
HF HoF3
2024-08-06 21:45:53.759519
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071031985).
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 agm071031985
data_agm071031985
_cell_length_a 10.07581
_cell_length_b 10.07581
_cell_length_c 10.07581
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1022.91474
_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 0.62500 0.62500 0.62500 1.00000
Ho2 Ho 0.87500 0.37500 0.12500 1.00000
Ho3 Ho 0.37500 0.12500 0.87500 1.00000
Ho4 Ho 0.12500 0.87500 0.37500 1.00000
H1 H 0.12500 0.26718 0.98282 1.00000
H2 H 0.37500 0.73282 0.48282 1.00000
H3 H 0.87500 0.76718 0.51718 1.00000
H4 H 0.62500 0.23282 0.01718 1.00000
H5 H 0.98282 0.12500 0.26718 1.00000
H6 H 0.48282 0.37500 0.73282 1.00000
H7 H 0.51718 0.87500 0.76718 1.00000
H8 H 0.01718 0.62500 0.23282 1.00000
H9 H 0.26718 0.98282 0.12500 1.00000
H10 H 0.73282 0.48282 0.37500 1.00000
H11 H 0.76718 0.51718 0.87500 1.00000
H12 H 0.23282 0.01718 0.62500 1.00000
F1 F 0.82692 0.69441 0.58982 1.00000
F2 F 0.67308 0.30559 0.08982 1.00000
F3 F 0.17308 0.19441 0.91018 1.00000
F4 F 0.32692 0.80559 0.41018 1.00000
F5 F 0.58982 0.82692 0.69441 1.00000
F6 F 0.08982 0.67308 0.30559 1.00000
F7 F 0.91018 0.17308 0.19441 1.00000
F8 F 0.41018 0.32692 0.80559 1.00000
F9 F 0.69441 0.58982 0.82692 1.00000
F10 F 0.30559 0.08982 0.67308 1.00000
F11 F 0.19441 0.91018 0.17308 1.00000
F12 F 0.80559 0.41018 0.32692 1.00000
F13 F 0.94441 0.57692 0.16018 1.00000
F14 F 0.55559 0.42308 0.66018 1.00000
F15 F 0.44441 0.92308 0.83982 1.00000
F16 F 0.05559 0.07692 0.33982 1.00000
F17 F 0.07692 0.33982 0.05559 1.00000
F18 F 0.92308 0.83982 0.44441 1.00000
F19 F 0.42308 0.66018 0.55559 1.00000
F20 F 0.57692 0.16018 0.94441 1.00000
F21 F 0.83982 0.44441 0.92308 1.00000
F22 F 0.33982 0.05559 0.07692 1.00000
F23 F 0.16018 0.94441 0.57692 1.00000
F24 F 0.66018 0.55559 0.42308 1.00000
