SrCoF4
Alexandria ALEXAlex-ID: agm002148017 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
CoF2 SrF2
2018-06-12 08:58:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002148017).
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 agm002148017
data_agm002148017
_cell_length_a 5.54105
_cell_length_b 5.54105
_cell_length_c 7.06165
_cell_angle_alpha 113.09983
_cell_angle_beta 113.09983
_cell_angle_gamma 90.00000
_cell_volume 180.38063
_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
Sr1 Sr 0.37500 0.12500 0.75000 1.00000
Sr2 Sr 0.62500 0.87500 0.25000 1.00000
Co1 Co 0.87500 0.62500 0.75000 1.00000
Co2 Co 0.12500 0.37500 0.25000 1.00000
F1 F 0.29340 0.45594 0.07843 1.00000
F2 F 0.62248 0.79340 0.57843 1.00000
F3 F 0.95594 0.28503 0.57843 1.00000
F4 F 0.78503 0.12248 0.07843 1.00000
F5 F 0.21497 0.87752 0.92157 1.00000
F6 F 0.04406 0.71497 0.42157 1.00000
F7 F 0.37752 0.20660 0.42157 1.00000
F8 F 0.70660 0.54406 0.92157 1.00000
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