BaHoF5
Alexandria ALEXAlex-ID: agm002148178 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_3_spg123
Ba4Ho3F17 BaHo2F8
2018-05-28 23:06:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002148178).
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 agm002148178
data_agm002148178
_cell_length_a 3.88143
_cell_length_b 3.88146
_cell_length_c 6.75386
_cell_angle_alpha 90.00002
_cell_angle_beta 90.00004
_cell_angle_gamma 89.99998
_cell_volume 101.75098
_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
F1 F 0.48809 0.99996 0.18388 1.00000
F2 F 0.48807 0.99996 0.81611 1.00000
F3 F 0.98808 0.49996 0.18388 1.00000
F4 F 0.98807 0.49996 0.81611 1.00000
F5 F 0.48810 0.49995 0.49999 1.00000
Ho1 Ho 0.48808 0.49996 0.99999 1.00000
Ba1 Ba 0.98809 0.99995 0.49999 1.00000
