Cr2GeF6
Alexandria ALEXAlex-ID: agm097238511 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6_spg121
CrF3 Ge
2025-04-06 21:57:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097238511).
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 agm097238511
data_agm097238511
_cell_length_a 3.89747
_cell_length_b 4.02275
_cell_length_c 8.93731
_cell_angle_alpha 89.15942
_cell_angle_beta 97.18371
_cell_angle_gamma 92.09262
_cell_volume 138.92416
_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 0.78759 0.20276 0.01232 1.00000
Cr2 Cr 0.25648 0.86361 0.33659 1.00000
Ge1 Ge 0.36281 0.59145 0.68020 1.00000
F1 F 0.29896 0.26875 0.04682 1.00000
F2 F 0.62337 0.85142 0.52325 1.00000
F3 F 0.33631 0.97984 0.78755 1.00000
F4 F 0.82591 0.85860 0.18118 1.00000
F5 F 0.77765 0.52142 0.83126 1.00000
F6 F 0.23093 0.36215 0.35082 1.00000
Get direct link