Ce3Mg7Pd2
Alexandria ALEXAlex-ID: agm024694094 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
CeMg2Pd CeMg3
2025-05-17 01:41:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024694094).
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 agm024694094
data_agm024694094
_cell_length_a 9.91219
_cell_length_b 9.91219
_cell_length_c 9.91219
_cell_angle_alpha 34.91743
_cell_angle_beta 34.91743
_cell_angle_gamma 34.91743
_cell_volume 284.86095
_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 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.15114 0.15114 0.15114 1.00000
Ce3 Ce 0.84886 0.84886 0.84886 1.00000
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
Mg2 Mg 0.07453 0.57516 0.57516 1.00000
Mg3 Mg 0.57516 0.57516 0.07453 1.00000
Mg4 Mg 0.57516 0.07453 0.57516 1.00000
Mg5 Mg 0.92547 0.42484 0.42484 1.00000
Mg6 Mg 0.42484 0.92547 0.42484 1.00000
Mg7 Mg 0.42484 0.42484 0.92547 1.00000
Pd1 Pd 0.33346 0.33346 0.33346 1.00000
Pd2 Pd 0.66654 0.66654 0.66654 1.00000
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