Fe2Cu2Rh7
Alexandria ALEXAlex-ID: agm005569342 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_231_spg12
FeRh7 Cu FeRh3
2023-06-04 07:59:05.525307
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005569342).
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 agm005569342
data_agm005569342
_cell_length_a 4.90332
_cell_length_b 4.90332
_cell_length_c 6.45587
_cell_angle_alpha 97.71362
_cell_angle_beta 97.71362
_cell_angle_gamma 95.19216
_cell_volume 151.48569
_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
Fe1 Fe 0.39392 0.39392 0.64903 1.00000
Fe2 Fe 0.60608 0.60608 0.35097 1.00000
Cu1 Cu 0.31898 0.68102 1.00000 1.00000
Cu2 Cu 0.68102 0.31898 0.00000 1.00000
Rh1 Rh 0.91370 0.53788 0.69501 1.00000
Rh2 Rh 0.46212 0.08630 0.30499 1.00000
Rh3 Rh 0.08630 0.46212 0.30499 1.00000
Rh4 Rh 0.53788 0.91370 0.69501 1.00000
Rh5 Rh 0.00000 0.00000 0.50000 1.00000
Rh6 Rh 0.84187 0.84187 0.08485 1.00000
Rh7 Rh 0.15813 0.15813 0.91515 1.00000
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