CePbF7
Alexandria ALEXAlex-ID: agm024250672 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
PbF3 CeF4
2024-12-31 04:57:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024250672).
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 agm024250672
data_agm024250672
_cell_length_a 5.99517
_cell_length_b 6.36159
_cell_length_c 8.76715
_cell_angle_alpha 77.38774
_cell_angle_beta 88.16688
_cell_angle_gamma 89.30792
_cell_volume 326.12901
_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
Ce1 Ce 0.74365 0.82867 0.18018 1.00000
Ce2 Ce 0.27092 0.15834 0.80700 1.00000
Pb1 Pb 0.77564 0.69567 0.71382 1.00000
Pb2 Pb 0.25217 0.30361 0.27018 1.00000
F1 F 0.46044 0.97337 0.02186 1.00000
F2 F 0.97384 0.01269 0.00560 1.00000
F3 F 0.45496 0.58177 0.25197 1.00000
F4 F 0.98102 0.35820 0.74612 1.00000
F5 F 0.71997 0.75054 0.43093 1.00000
F6 F 0.25671 0.26505 0.51137 1.00000
F7 F 0.99178 0.53898 0.26396 1.00000
F8 F 0.46055 0.45265 0.74787 1.00000
F9 F 0.55574 0.12747 0.26707 1.00000
F10 F 0.12454 0.88531 0.73934 1.00000
F11 F 0.56925 0.02634 0.71456 1.00000
F12 F 0.03953 0.03734 0.30109 1.00000
F13 F 0.75217 0.64245 0.99981 1.00000
F14 F 0.24092 0.36154 0.02728 1.00000
Get direct link