GePbF5
Alexandria ALEXAlex-ID: agm005752456 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_459_spg15
GePbF6 Ge2PbF6 PbF2
2023-07-14 03:19:24.745355
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752456).
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 agm005752456
data_agm005752456
_cell_length_a 5.95546
_cell_length_b 5.95546
_cell_length_c 8.13626
_cell_angle_alpha 70.22059
_cell_angle_beta 70.22059
_cell_angle_gamma 72.45427
_cell_volume 249.76694
_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
Ge1 Ge 0.00000 1.00000 0.00000 1.00000
Ge2 Ge 1.00000 0.00000 0.50000 1.00000
Pb1 Pb 0.53376 0.46624 0.75000 1.00000
Pb2 Pb 0.46624 0.53376 0.25000 1.00000
F1 F 0.23330 0.21219 0.88830 1.00000
F2 F 0.29408 0.71894 0.52894 1.00000
F3 F 0.21219 0.23330 0.38830 1.00000
F4 F 0.95441 0.04559 0.75000 1.00000
F5 F 0.28107 0.70592 0.97106 1.00000
F6 F 0.71894 0.29408 0.02894 1.00000
F7 F 0.04559 0.95441 0.25000 1.00000
F8 F 0.78781 0.76670 0.61170 1.00000
F9 F 0.70592 0.28107 0.47106 1.00000
F10 F 0.76670 0.78781 0.11170 1.00000
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