Ce4MnIr
Alexandria ALEXAlex-ID: agm005808663 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2364_spg15
Ce7Ir3 Ce Mn
2023-07-30 10:20:04.297246
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808663).
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 agm005808663
data_agm005808663
_cell_length_a 5.87351
_cell_length_b 7.42582
_cell_length_c 7.42581
_cell_angle_alpha 109.43185
_cell_angle_beta 105.16557
_cell_angle_gamma 105.16562
_cell_volume 272.31136
_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 0.80651 0.60144 0.76431 1.00000
Ce2 Ce 0.08083 0.94239 0.28379 1.00000
Ce3 Ce 0.69349 0.23569 0.39856 1.00000
Ce4 Ce 0.41917 0.71621 0.05761 1.00000
Ce5 Ce 0.58083 0.28379 0.94239 1.00000
Ce6 Ce 0.30651 0.76431 0.60144 1.00000
Ce7 Ce 0.91917 0.05761 0.71621 1.00000
Ce8 Ce 0.19349 0.39856 0.23569 1.00000
Mn1 Mn 0.25000 0.99885 0.00115 1.00000
Mn2 Mn 0.75000 0.00115 0.99885 1.00000
Ir1 Ir 0.75000 0.63122 0.36878 1.00000
Ir2 Ir 0.25000 0.36878 0.63122 1.00000
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