Ce5Pb4
Alexandria ALEXAlex-ID: agm007803539 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_11_spg62
Ce5Pb4
2024-11-03 16:48:34.210553
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007803539).
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 agm007803539
data_agm007803539
_cell_length_a 8.39239
_cell_length_b 8.50041
_cell_length_c 15.96634
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1139.01781
_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 0.01498 0.18598 0.40486 1.00000
Ce2 Ce 0.37015 0.84404 0.12377 1.00000
Ce3 Ce 0.12985 0.34404 0.62377 1.00000
Ce4 Ce 0.48502 0.68598 0.90486 1.00000
Ce5 Ce 0.87015 0.65596 0.12377 1.00000
Ce6 Ce 0.12985 0.34404 0.87623 1.00000
Ce7 Ce 0.17630 0.51467 0.25000 1.00000
Ce8 Ce 0.67630 0.98533 0.25000 1.00000
Ce9 Ce 0.48502 0.68598 0.59514 1.00000
Ce10 Ce 0.32370 0.01467 0.75000 1.00000
Ce11 Ce 0.62985 0.15596 0.62377 1.00000
Ce12 Ce 0.82370 0.48533 0.75000 1.00000
Ce13 Ce 0.87015 0.65596 0.37623 1.00000
Ce14 Ce 0.01498 0.18598 0.09514 1.00000
Ce15 Ce 0.98502 0.81402 0.90486 1.00000
Ce16 Ce 0.62985 0.15596 0.87623 1.00000
Ce17 Ce 0.51498 0.31402 0.09514 1.00000
Ce18 Ce 0.37015 0.84404 0.37623 1.00000
Ce19 Ce 0.98502 0.81402 0.59514 1.00000
Ce20 Ce 0.51498 0.31402 0.40486 1.00000
Pb1 Pb 0.78808 0.45951 0.54125 1.00000
Pb2 Pb 0.71192 0.95951 0.45875 1.00000
Pb3 Pb 0.68514 0.84079 0.75000 1.00000
Pb4 Pb 0.21192 0.54049 0.45875 1.00000
Pb5 Pb 0.28808 0.04049 0.95875 1.00000
Pb6 Pb 0.81486 0.34079 0.25000 1.00000
Pb7 Pb 0.78808 0.45951 0.95875 1.00000
Pb8 Pb 0.55521 0.60344 0.25000 1.00000
Pb9 Pb 0.21192 0.54049 0.04125 1.00000
Pb10 Pb 0.44479 0.39656 0.75000 1.00000
Pb11 Pb 0.18514 0.65921 0.75000 1.00000
Pb12 Pb 0.94479 0.10344 0.75000 1.00000
Pb13 Pb 0.28808 0.04049 0.54125 1.00000
Pb14 Pb 0.71192 0.95951 0.04125 1.00000
Pb15 Pb 0.31486 0.15921 0.25000 1.00000
Pb16 Pb 0.05521 0.89656 0.25000 1.00000
