LaSnF7
Alexandria ALEXAlex-ID: agm024206245 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
LaSnF7
2024-09-13 15:44:50.908496
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024206245).
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 agm024206245
data_agm024206245
_cell_length_a 5.97833
_cell_length_b 6.29467
_cell_length_c 8.55644
_cell_angle_alpha 77.24925
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 314.05211
_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 0.75385 0.15890 0.80888 1.00000
La2 La 0.25385 0.84110 0.19112 1.00000
Sn1 Sn 0.76203 0.31199 0.27524 1.00000
Sn2 Sn 0.26203 0.68801 0.72476 1.00000
F1 F 0.45344 0.04642 0.98073 1.00000
F2 F 0.95344 0.95358 0.01927 1.00000
F3 F 0.49354 0.45561 0.73229 1.00000
F4 F 0.99354 0.54439 0.26771 1.00000
F5 F 0.75567 0.27143 0.51309 1.00000
F6 F 0.25567 0.72857 0.48691 1.00000
F7 F 0.02766 0.45431 0.74327 1.00000
F8 F 0.52766 0.54569 0.25673 1.00000
F9 F 0.51370 0.90396 0.70351 1.00000
F10 F 0.01370 0.09604 0.29649 1.00000
F11 F 0.53119 0.07766 0.29260 1.00000
F12 F 0.03119 0.92234 0.70740 1.00000
F13 F 0.77077 0.36131 0.03689 1.00000
F14 F 0.27077 0.63869 0.96311 1.00000
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