H2Pb2F7
Alexandria ALEXAlex-ID: agm006353087 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_773_spg2
PbF3 HPbF3 HF
2024-02-23 20:28:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006353087).
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 agm006353087
data_agm006353087
_cell_length_a 4.61382
_cell_length_b 5.62894
_cell_length_c 6.64864
_cell_angle_alpha 101.44171
_cell_angle_beta 94.67110
_cell_angle_gamma 109.68169
_cell_volume 157.28329
_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
H1 H 0.02291 0.73323 0.38551 1.00000
H2 H 0.97709 0.26677 0.61449 1.00000
Pb1 Pb 0.37368 0.22788 0.21449 1.00000
Pb2 Pb 0.62632 0.77212 0.78551 1.00000
F1 F 0.22841 0.37774 0.54997 1.00000
F2 F 0.81531 0.11314 0.12652 1.00000
F3 F 0.77159 0.62226 0.45003 1.00000
F4 F 0.18469 0.88686 0.87348 1.00000
F5 F 0.50000 0.50000 0.00000 1.00000
F6 F 0.76402 0.18335 0.66568 1.00000
F7 F 0.23598 0.81665 0.33432 1.00000
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