PmCr2F8
Alexandria ALEXAlex-ID: agm005998461 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1643_spg2
CrF2 CrF3 PmF3
2023-10-16 04:23:00.881997
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998461).
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 agm005998461
data_agm005998461
_cell_length_a 4.21079
_cell_length_b 7.24355
_cell_length_c 6.56461
_cell_angle_alpha 125.59934
_cell_angle_beta 106.65837
_cell_angle_gamma 74.20430
_cell_volume 154.54112
_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 0.22542 0.34564 0.78296 1.00000
Cr2 Cr 0.77458 0.65436 0.21702 1.00000
F1 F 0.27168 0.60976 0.16385 1.00000
F2 F 0.72832 0.39024 0.83612 1.00000
F3 F 0.61553 0.87484 0.09846 1.00000
F4 F 0.16159 0.11110 0.42235 1.00000
F5 F 0.09268 0.60801 0.75137 1.00000
F6 F 0.38446 0.12517 0.90152 1.00000
F7 F 0.83842 0.88889 0.57763 1.00000
F8 F 0.90732 0.39199 0.24863 1.00000
Pm1 Pm 0.00000 0.00000 0.99999 1.00000
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