CdPb2F6
Alexandria ALEXAlex-ID: agm097490477 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_156_spg164
PbF2 CdF2
2025-04-06 21:46:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097490477).
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
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# CIF generated by HEAS from Alexandria entry agm097490477
data_agm097490477
_cell_length_a 4.14005
_cell_length_b 4.14005
_cell_length_c 9.98959
_cell_angle_alpha 89.95100
_cell_angle_beta 90.04900
_cell_angle_gamma 119.66146
_cell_volume 148.78573
_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
Cd1 Cd 0.49822 0.49822 0.50000 1.00000
Pb1 Pb 0.16546 0.83065 0.17912 1.00000
Pb2 Pb 0.83065 0.16546 0.82088 1.00000
F1 F 0.49949 0.49650 0.27202 1.00000
F2 F 0.49650 0.49949 0.72798 1.00000
F3 F 0.83048 0.16524 0.56954 1.00000
F4 F 0.16464 0.83151 0.90943 1.00000
F5 F 0.16524 0.83048 0.43046 1.00000
F6 F 0.83151 0.16464 0.09057 1.00000
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