BaSr2MgF8
Alexandria ALEXAlex-ID: agm004911684 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_357_spg10
BaMg2F6 SrF2 BaF2
2022-12-20 12:16:16.374880
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004911684).
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 agm004911684
data_agm004911684
_cell_length_a 4.31965
_cell_length_b 5.67037
_cell_length_c 7.97426
_cell_angle_alpha 90.00143
_cell_angle_beta 89.99892
_cell_angle_gamma 95.98972
_cell_volume 194.25489
_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
Ba1 Ba 0.00000 0.00000 0.50000 1.00000
Sr1 Sr 0.49999 0.50001 0.77014 1.00000
Sr2 Sr 0.50001 0.49999 0.22986 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
F1 F 0.05081 0.76170 0.20935 1.00000
F2 F 0.59311 0.78378 0.00001 1.00000
F3 F 0.94917 0.23823 0.20934 1.00000
F4 F 0.94919 0.23830 0.79065 1.00000
F5 F 0.40689 0.21622 0.99999 1.00000
F6 F 0.05083 0.76177 0.79066 1.00000
F7 F 0.47749 0.73127 0.50000 1.00000
F8 F 0.52251 0.26873 0.50000 1.00000
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