Ce2Mg3Fe2
Alexandria ALEXAlex-ID: agm084487348 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_322_spg12
Mg CeFe
2025-03-01 07:54:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm084487348).
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 agm084487348
data_agm084487348
_cell_length_a 6.34942
_cell_length_b 6.34942
_cell_length_c 7.11024
_cell_angle_alpha 58.83178
_cell_angle_beta 121.16822
_cell_angle_gamma 139.12490
_cell_volume 156.37906
_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 0.70503 0.29497 0.74784 1.00000
Ce2 Ce 0.29497 0.70503 0.25216 1.00000
Mg1 Mg 0.02962 0.97038 0.31146 1.00000
Mg2 Mg 0.97038 0.02962 0.68854 1.00000
Mg3 Mg 0.50000 0.50000 0.00000 1.00000
Fe1 Fe 0.30500 0.69500 0.55473 1.00000
Fe2 Fe 0.69500 0.30500 0.44527 1.00000
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