Ce3CoPd2
Alexandria ALEXAlex-ID: agm036334928 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2535_spg2
CeCo CePd
2025-04-13 19:38:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036334928).
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
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# CIF generated by HEAS from Alexandria entry agm036334928
data_agm036334928
_cell_length_a 5.29873
_cell_length_b 7.62231
_cell_length_c 7.33140
_cell_angle_alpha 105.70813
_cell_angle_beta 108.27959
_cell_angle_gamma 104.10715
_cell_volume 252.56207
_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 0.33756 0.23514 0.44956 1.00000
Ce2 Ce 0.11024 0.81167 0.31820 1.00000
Ce3 Ce 0.66244 0.76486 0.55044 1.00000
Ce4 Ce 0.40118 0.74554 0.94836 1.00000
Ce5 Ce 0.59882 0.25446 0.05164 1.00000
Ce6 Ce 0.88976 0.18833 0.68180 1.00000
Co1 Co 0.31928 0.00305 0.72297 1.00000
Co2 Co 0.68072 0.99695 0.27703 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pd2 Pd 0.00000 0.50000 0.50000 1.00000
Pd3 Pd 0.20577 0.44307 0.14808 1.00000
Pd4 Pd 0.79423 0.55693 0.85192 1.00000
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