Ho2CrF8
Alexandria ALEXAlex-ID: agm006033366 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_572_spg12
CrF2 HoF3
2023-10-15 09:45:35.204189
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006033366).
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 agm006033366
data_agm006033366
_cell_length_a 3.45243
_cell_length_b 5.70439
_cell_length_c 7.52849
_cell_angle_alpha 105.71049
_cell_angle_beta 103.25531
_cell_angle_gamma 90.00001
_cell_volume 138.61924
_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
Cr1 Cr 0.50000 0.00000 0.00000 1.00000
Ho1 Ho 0.18014 0.69684 0.36028 1.00000
Ho2 Ho 0.81986 0.30316 0.63972 1.00000
F1 F 0.59849 0.49195 0.19697 1.00000
F2 F 0.31864 0.03020 0.63728 1.00000
F3 F 0.21606 0.33453 0.43212 1.00000
F4 F 0.04088 0.83593 0.08176 1.00000
F5 F 0.78394 0.66547 0.56788 1.00000
F6 F 0.68136 0.96980 0.36272 1.00000
F7 F 0.40151 0.50805 0.80303 1.00000
F8 F 0.95912 0.16407 0.91824 1.00000
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