Mn3Rh5C
Alexandria ALEXAlex-ID: agm072807724 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1363_spg8
Mn3Rh13 MnRh C
2024-09-23 20:40:09.342962
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072807724).
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 agm072807724
data_agm072807724
_cell_length_a 5.38238
_cell_length_b 5.38238
_cell_length_c 6.52411
_cell_angle_alpha 54.15193
_cell_angle_beta 54.15193
_cell_angle_gamma 63.15751
_cell_volume 122.47341
_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
Mn1 Mn 0.82716 0.82716 0.50410 1.00000
Mn2 Mn 0.30215 0.30215 0.52203 1.00000
Mn3 Mn 0.74013 0.74013 0.15369 1.00000
Rh1 Rh 0.22813 0.22813 0.17701 1.00000
Rh2 Rh 0.23251 0.73575 0.65925 1.00000
Rh3 Rh 0.81480 0.30377 0.02337 1.00000
Rh4 Rh 0.73575 0.23251 0.65925 1.00000
Rh5 Rh 0.30377 0.81480 0.02337 1.00000
C1 C 0.52398 0.52398 0.84110 1.00000
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