MnPb2F8
Alexandria ALEXAlex-ID: agm005998035 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_891_spg164
PbF3 MnPbF5
2023-10-16 05:56:14.671307
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998035).
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 agm005998035
data_agm005998035
_cell_length_a 4.76769
_cell_length_b 6.83729
_cell_length_c 6.83680
_cell_angle_alpha 120.01533
_cell_angle_beta 90.00014
_cell_angle_gamma 90.00027
_cell_volume 192.97824
_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 0.24714 0.33333 0.66672 1.00000
Pb2 Pb 0.75286 0.66667 0.33326 1.00000
Mn1 Mn 0.00000 0.00000 0.99999 1.00000
F1 F 0.24169 0.66664 0.33322 1.00000
F2 F 0.75831 0.33336 0.66675 1.00000
F3 F 0.77813 0.87047 0.12808 1.00000
F4 F 0.22186 0.12815 0.25767 1.00000
F5 F 0.22192 0.74236 0.87043 1.00000
F6 F 0.22187 0.12954 0.87190 1.00000
F7 F 0.77815 0.87184 0.74232 1.00000
F8 F 0.77808 0.25764 0.12956 1.00000
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