Sr4O3F2
Alexandria ALEXAlex-ID: agm005687946 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_992_spg12
SrO SrF2
2023-06-27 19:45:19.470552
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687946).
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 agm005687946
data_agm005687946
_cell_length_a 3.64812
_cell_length_b 6.44306
_cell_length_c 8.03883
_cell_angle_alpha 79.61673
_cell_angle_beta 76.88502
_cell_angle_gamma 73.55445
_cell_volume 175.12988
_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 0.76829 0.16814 0.29529 1.00000
Sr2 Sr 0.23171 0.83186 0.70471 1.00000
Sr3 Sr 0.40807 0.29353 0.89032 1.00000
Sr4 Sr 0.59193 0.70647 0.10968 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
O2 O 0.20213 0.41299 0.18275 1.00000
O3 O 0.79787 0.58701 0.81725 1.00000
F1 F 0.63469 0.11085 0.61978 1.00000
F2 F 0.36531 0.88915 0.38022 1.00000
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