SrIn6F8
Alexandria ALEXAlex-ID: agm072931432 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_360_spg148
InF2 In SrF2
2024-10-06 05:00:41.744953
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072931432).
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 agm072931432
data_agm072931432
_cell_length_a 6.05018
_cell_length_b 6.89804
_cell_length_c 7.88226
_cell_angle_alpha 89.61513
_cell_angle_beta 87.62032
_cell_angle_gamma 101.52735
_cell_volume 322.00982
_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 0.00000 0.00000 0.00000 1.00000
In1 In 0.81875 0.43413 0.32757 1.00000
In2 In 0.69684 0.86925 0.54727 1.00000
In3 In 0.33606 0.61393 0.17906 1.00000
In4 In 0.18125 0.56587 0.67243 1.00000
In5 In 0.30316 0.13075 0.45273 1.00000
In6 In 0.66394 0.38607 0.82094 1.00000
F1 F 0.69035 0.72706 0.08206 1.00000
F2 F 0.30965 0.27294 0.91794 1.00000
F3 F 0.25695 0.92751 0.22551 1.00000
F4 F 0.80013 0.28551 0.06870 1.00000
F5 F 0.06798 0.88047 0.62806 1.00000
F6 F 0.74305 0.07249 0.77449 1.00000
F7 F 0.19987 0.71449 0.93130 1.00000
F8 F 0.93202 0.11953 0.37194 1.00000
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