RbCoAsF6
Alexandria ALEXAlex-ID: agm005097166 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
RbAsF4 CoF2
2022-12-15 02:54:39.801677
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005097166).
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 agm005097166
data_agm005097166
_cell_length_a 5.54674
_cell_length_b 5.58703
_cell_length_c 5.87785
_cell_angle_alpha 89.21503
_cell_angle_beta 90.27499
_cell_angle_gamma 62.04827
_cell_volume 160.87602
_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
Rb1 Rb 0.00127 0.00018 0.01371 1.00000
Co1 Co 0.67229 0.66967 0.50612 1.00000
As1 As 0.33181 0.33240 0.50839 1.00000
F1 F 0.99631 0.40869 0.30398 1.00000
F2 F 0.38799 0.95482 0.69457 1.00000
F3 F 0.65428 0.34969 0.67217 1.00000
F4 F 0.99303 0.65984 0.67847 1.00000
F5 F 0.38436 0.59086 0.31472 1.00000
F6 F 0.57841 0.03390 0.30779 1.00000
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