Rb2VCo3F12
Alexandria ALEXAlex-ID: agm004497482 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_24_spg166
Rb2VF6 CoF2
2022-06-20 02:40:26.259764
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004497482).
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 agm004497482
data_agm004497482
_cell_length_a 7.47476
_cell_length_b 7.47476
_cell_length_c 7.47476
_cell_angle_alpha 58.76089
_cell_angle_beta 58.76089
_cell_angle_gamma 58.76089
_cell_volume 286.95123
_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 0.61446 0.61446 0.61446 1.00000
Rb2 Rb 0.38554 0.38554 0.38554 1.00000
V1 V 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.50000 0.00000 0.00000 1.00000
Co2 Co 0.00000 0.50000 0.00000 1.00000
Co3 Co 0.00000 0.00000 0.50000 1.00000
F1 F 0.32486 0.32486 0.92631 1.00000
F2 F 0.93176 0.93176 0.31302 1.00000
F3 F 0.31302 0.93176 0.93176 1.00000
F4 F 0.92631 0.32486 0.32486 1.00000
F5 F 0.93176 0.31302 0.93176 1.00000
F6 F 0.32486 0.92631 0.32486 1.00000
F7 F 0.67514 0.67514 0.07369 1.00000
F8 F 0.06824 0.06824 0.68698 1.00000
F9 F 0.68698 0.06824 0.06824 1.00000
F10 F 0.07369 0.67514 0.67514 1.00000
F11 F 0.06824 0.68698 0.06824 1.00000
F12 F 0.67514 0.07369 0.67514 1.00000
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