Cs4Sb2PbF14
Alexandria ALEXAlex-ID: agm020067768 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D14_14_spg2
Cs2SbF5 CsSbF6 CsPbF3
2024-12-05 03:50:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020067768).
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 agm020067768
data_agm020067768
_cell_length_a 7.47150
_cell_length_b 7.90830
_cell_length_c 8.45054
_cell_angle_alpha 92.54175
_cell_angle_beta 90.37848
_cell_angle_gamma 113.21541
_cell_volume 458.27627
_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 0.28837 0.56472 0.14394 1.00000
Cs2 Cs 0.85299 0.73730 0.41403 1.00000
Cs3 Cs 0.71163 0.43528 0.85606 1.00000
Cs4 Cs 0.14701 0.26270 0.58597 1.00000
Sb1 Sb 0.39023 0.82098 0.67458 1.00000
Sb2 Sb 0.60977 0.17902 0.32542 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
F1 F 0.89113 0.34454 0.32668 1.00000
F2 F 0.26273 0.06589 0.87353 1.00000
F3 F 0.42471 0.66860 0.49312 1.00000
F4 F 0.73727 0.93411 0.12647 1.00000
F5 F 0.98947 0.25102 0.93151 1.00000
F6 F 0.29050 0.94006 0.49433 1.00000
F7 F 0.01053 0.74898 0.06849 1.00000
F8 F 0.84516 0.86903 0.79006 1.00000
F9 F 0.10887 0.65546 0.67332 1.00000
F10 F 0.15484 0.13097 0.20994 1.00000
F11 F 0.40718 0.60543 0.80333 1.00000
F12 F 0.59282 0.39457 0.19667 1.00000
F13 F 0.70950 0.05994 0.50567 1.00000
F14 F 0.57529 0.33140 0.50688 1.00000
