Cr3CoF12
Alexandria ALEXAlex-ID: agm077301346 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_6_spg1
Cr3CoF12
2025-01-14 12:44:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077301346).
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
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# CIF generated by HEAS from Alexandria entry agm077301346
data_agm077301346
_cell_length_a 5.13336
_cell_length_b 5.39472
_cell_length_c 7.45582
_cell_angle_alpha 89.61902
_cell_angle_beta 89.85879
_cell_angle_gamma 89.96482
_cell_volume 206.46876
_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 0.00000 0.50000 0.50000 1.00000
Cr2 Cr 0.50000 0.00000 0.50000 1.00000
Cr3 Cr 0.00000 0.50000 0.00000 1.00000
Co1 Co 0.50000 0.00000 0.00000 1.00000
F1 F 0.89132 0.47948 0.25005 1.00000
F2 F 0.79317 0.20525 0.94825 1.00000
F3 F 0.20683 0.79475 0.05175 1.00000
F4 F 0.10868 0.52052 0.74995 1.00000
F5 F 0.19211 0.80250 0.44591 1.00000
F6 F 0.39207 0.02074 0.75036 1.00000
F7 F 0.60793 0.97926 0.24964 1.00000
F8 F 0.80789 0.19750 0.55409 1.00000
F9 F 0.69796 0.70696 0.94779 1.00000
F10 F 0.30772 0.30313 0.44572 1.00000
F11 F 0.69228 0.69687 0.55428 1.00000
F12 F 0.30204 0.29304 0.05221 1.00000
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