SnPbF4
Alexandria ALEXAlex-ID: agm002270629 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_139_spg12
PbF2 SnF2
2019-01-04 17:48:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002270629).
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 agm002270629
data_agm002270629
_cell_length_a 4.29940
_cell_length_b 7.23356
_cell_length_c 7.34202
_cell_angle_alpha 100.14361
_cell_angle_beta 107.02856
_cell_angle_gamma 89.99589
_cell_volume 214.59144
_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
Pb1 Pb 0.75000 0.25000 0.50000 1.00000
Pb2 Pb 0.25000 0.75000 0.50000 1.00000
Sn1 Sn 0.45446 0.50001 0.99997 1.00000
Sn2 Sn 0.04554 1.00000 0.00003 1.00000
F1 F 0.69095 0.56150 0.37231 1.00000
F2 F 0.80905 0.93851 0.62769 1.00000
F3 F 0.31852 0.43856 0.62756 1.00000
F4 F 0.18148 0.06145 0.37244 1.00000
F5 F 0.11162 0.68440 0.12448 1.00000
F6 F 0.38838 0.81561 0.87552 1.00000
F7 F 0.98710 0.31563 0.87541 1.00000
F8 F 0.51289 0.18438 0.12459 1.00000
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