Cs2LiPbF5
Alexandria ALEXAlex-ID: agm005152144 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_218_spg36
CsLiF2 CsPbF3
2023-01-09 14:50:02.259000
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152144).
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 agm005152144
data_agm005152144
_cell_length_a 3.88906
_cell_length_b 8.07948
_cell_length_c 13.20413
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.92637
_cell_volume 402.69893
_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
Cs1 Cs 0.86128 0.72256 0.83964 1.00000
Cs2 Cs 0.09119 0.18238 0.66082 1.00000
Cs3 Cs 0.13872 0.27744 0.33964 1.00000
Cs4 Cs 0.90881 0.81762 0.16082 1.00000
Li1 Li 0.54973 0.09945 0.91231 1.00000
Li2 Li 0.45027 0.90055 0.41231 1.00000
Pb1 Pb 0.81718 0.63435 0.54790 1.00000
Pb2 Pb 0.18282 0.36565 0.04790 1.00000
F1 F 0.32534 0.65067 0.00925 1.00000
F2 F 0.67226 0.34453 0.93022 1.00000
F3 F 0.50034 0.00069 0.78600 1.00000
F4 F 0.28776 0.57551 0.66654 1.00000
F5 F 0.96809 0.93619 0.47130 1.00000
F6 F 0.67466 0.34933 0.50925 1.00000
F7 F 0.32774 0.65547 0.43022 1.00000
F8 F 0.49966 0.99931 0.28600 1.00000
F9 F 0.71224 0.42449 0.16654 1.00000
F10 F 0.03191 0.06381 0.97130 1.00000
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