LaSiF7
Alexandria ALEXAlex-ID: agm024207560 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_80_spg2
LaSiF7
2025-03-11 04:52:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024207560).
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 agm024207560
data_agm024207560
_cell_length_a 6.10441
_cell_length_b 5.31976
_cell_length_c 8.07155
_cell_angle_alpha 90.00000
_cell_angle_beta 101.54045
_cell_angle_gamma 90.00000
_cell_volume 256.81618
_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
La1 La 0.33131 0.24178 0.31197 1.00000
La2 La 0.66869 0.74178 0.68803 1.00000
Si1 Si 0.19711 0.22617 0.78269 1.00000
Si2 Si 0.80289 0.72617 0.21731 1.00000
F1 F 0.39779 0.62779 0.45741 1.00000
F2 F 0.60221 0.12779 0.54259 1.00000
F3 F 0.00426 0.50180 0.21791 1.00000
F4 F 0.99574 0.00180 0.78209 1.00000
F5 F 0.23399 0.24201 0.99799 1.00000
F6 F 0.76601 0.74201 0.00201 1.00000
F7 F 0.00513 0.95473 0.23648 1.00000
F8 F 0.99487 0.45473 0.76352 1.00000
F9 F 0.60611 0.49172 0.19808 1.00000
F10 F 0.39389 0.99172 0.80192 1.00000
F11 F 0.40178 0.44666 0.78674 1.00000
F12 F 0.59822 0.94666 0.21326 1.00000
F13 F 0.15625 0.20556 0.56647 1.00000
F14 F 0.84375 0.70556 0.43353 1.00000
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