CaCe5Pb6
Alexandria ALEXAlex-ID: agm006116660 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
CePb2 Ce5Pb4 CaPb
2023-09-16 07:54:06.382062
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116660).
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 agm006116660
data_agm006116660
_cell_length_a 5.10344
_cell_length_b 9.13191
_cell_length_c 8.09470
_cell_angle_alpha 89.99991
_cell_angle_beta 71.41458
_cell_angle_gamma 89.99992
_cell_volume 357.57257
_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
Pb1 Pb 0.83344 0.75050 0.33298 1.00000
Pb2 Pb 0.83344 0.24950 0.33298 1.00000
Pb3 Pb 0.50000 0.24670 1.00000 1.00000
Pb4 Pb 0.50000 0.75330 0.00000 1.00000
Pb5 Pb 0.16656 0.75050 0.66702 1.00000
Pb6 Pb 0.16656 0.24950 0.66702 1.00000
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.66483 0.50000 0.67030 1.00000
Ce2 Ce 0.33118 0.00000 0.33705 1.00000
Ce3 Ce 0.00000 0.50000 0.00000 1.00000
Ce4 Ce 0.66882 1.00000 0.66295 1.00000
Ce5 Ce 0.33517 0.50000 0.32970 1.00000
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