CoMoRh
Alexandria ALEXAlex-ID: agm005702260 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_132_spg40
MoRh MoRh2 Co3Mo
2023-06-19 08:35:19.798712
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702260).
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 agm005702260
data_agm005702260
_cell_length_a 4.38759
_cell_length_b 4.37133
_cell_length_c 4.80718
_cell_angle_alpha 90.00398
_cell_angle_beta 117.15264
_cell_angle_gamma 89.99074
_cell_volume 82.03869
_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
Co1 Co 0.37109 0.61558 0.20507 1.00000
Co2 Co 0.85901 0.11538 0.18056 1.00000
Mo1 Mo 0.20674 0.11553 0.87608 1.00000
Mo2 Mo 0.02336 0.61543 0.50956 1.00000
Rh1 Rh 0.70485 0.61545 0.87255 1.00000
Rh2 Rh 0.52525 0.11550 0.51308 1.00000
