Cs3Sr2F7
Alexandria ALEXAlex-ID: agm005599343 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_1_spg139
CsSrF3 CsF
2023-06-13 06:34:18.233552
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005599343).
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 agm005599343
data_agm005599343
_cell_length_a 4.81548
_cell_length_b 4.81548
_cell_length_c 12.80388
_cell_angle_alpha 100.83886
_cell_angle_beta 100.83887
_cell_angle_gamma 90.00000
_cell_volume 286.21555
_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
Cs1 Cs 0.31231 0.31231 0.62462 1.00000
Cs2 Cs 0.68769 0.68769 0.37538 1.00000
Cs3 Cs 0.50000 0.50000 0.00000 1.00000
Sr1 Sr 0.09831 0.09831 0.19662 1.00000
Sr2 Sr 0.90169 0.90169 0.80338 1.00000
F1 F 0.00000 0.00000 0.00000 1.00000
F2 F 0.90322 0.40322 0.80644 1.00000
F3 F 0.40322 0.90322 0.80644 1.00000
F4 F 0.09678 0.59678 0.19356 1.00000
F5 F 0.59678 0.09678 0.19356 1.00000
F6 F 0.19595 0.19595 0.39189 1.00000
F7 F 0.80405 0.80405 0.60811 1.00000
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