Ce3Mn2Ru7
Alexandria ALEXAlex-ID: agm024338416 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_69_spg12
MnRu3 CeRu2 Mn
2025-05-17 01:59:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024338416).
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 agm024338416
data_agm024338416
_cell_length_a 5.33564
_cell_length_b 5.33564
_cell_length_c 9.01150
_cell_angle_alpha 72.63809
_cell_angle_beta 107.36191
_cell_angle_gamma 119.87093
_cell_volume 208.82440
_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 0.14000 0.86000 0.42039 1.00000
Ce3 Ce 0.86000 0.14000 0.57961 1.00000
Mn1 Mn 0.33591 0.66409 0.00685 1.00000
Mn2 Mn 0.66409 0.33591 0.99315 1.00000
Ru1 Ru 0.50000 0.50000 0.50000 1.00000
Ru2 Ru 0.07560 0.41768 0.24009 1.00000
Ru3 Ru 0.58232 0.92440 0.24009 1.00000
Ru4 Ru 0.58283 0.41717 0.24056 1.00000
Ru5 Ru 0.92440 0.58232 0.75991 1.00000
Ru6 Ru 0.41717 0.58283 0.75944 1.00000
Ru7 Ru 0.41768 0.07560 0.75991 1.00000
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