Ce2Fe14Cu3
Alexandria ALEXAlex-ID: agm007991003 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C14_0_spg194
CeCu6 CeFe Fe
2024-06-24 11:55:32.058012
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007991003).
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 agm007991003
data_agm007991003
_cell_length_a 8.55734
_cell_length_b 8.55734
_cell_length_c 8.15597
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 517.22994
_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 0.25000 1.00000
Ce2 Ce 0.00000 0.00000 0.75000 1.00000
Ce3 Ce 0.66667 0.33333 0.75000 1.00000
Ce4 Ce 0.33333 0.66667 0.25000 1.00000
Fe1 Fe 0.66667 0.33333 0.10563 1.00000
Fe2 Fe 0.33333 0.66667 0.60563 1.00000
Fe3 Fe 0.33333 0.66667 0.89437 1.00000
Fe4 Fe 0.66667 0.33333 0.39437 1.00000
Fe5 Fe 0.95364 0.63042 0.25000 1.00000
Fe6 Fe 0.36958 0.32322 0.25000 1.00000
Fe7 Fe 0.67678 0.04636 0.25000 1.00000
Fe8 Fe 0.04636 0.36958 0.75000 1.00000
Fe9 Fe 0.63042 0.67678 0.75000 1.00000
Fe10 Fe 0.32322 0.95364 0.75000 1.00000
Fe11 Fe 0.32322 0.36958 0.75000 1.00000
Fe12 Fe 0.04636 0.67678 0.75000 1.00000
Fe13 Fe 0.63042 0.95364 0.75000 1.00000
Fe14 Fe 0.67678 0.63042 0.25000 1.00000
Fe15 Fe 0.95364 0.32322 0.25000 1.00000
Fe16 Fe 0.36958 0.04636 0.25000 1.00000
Fe17 Fe 0.33201 0.16600 0.97659 1.00000
Fe18 Fe 0.83400 0.16600 0.97659 1.00000
Fe19 Fe 0.83400 0.66799 0.97659 1.00000
Fe20 Fe 0.66799 0.83400 0.47659 1.00000
Fe21 Fe 0.16600 0.83400 0.47659 1.00000
Fe22 Fe 0.16600 0.33201 0.47659 1.00000
Fe23 Fe 0.16600 0.83400 0.02341 1.00000
Fe24 Fe 0.66799 0.83400 0.02341 1.00000
Fe25 Fe 0.16600 0.33201 0.02341 1.00000
Fe26 Fe 0.83400 0.16600 0.52341 1.00000
Fe27 Fe 0.33201 0.16600 0.52341 1.00000
Fe28 Fe 0.83400 0.66799 0.52341 1.00000
Cu1 Cu 0.00000 0.50000 0.00000 1.00000
Cu2 Cu 0.50000 0.50000 0.00000 1.00000
Cu3 Cu 0.50000 0.00000 0.00000 1.00000
Cu4 Cu 0.00000 0.50000 0.50000 1.00000
Cu5 Cu 0.50000 0.50000 0.50000 1.00000
Cu6 Cu 0.50000 0.00000 0.50000 1.00000
