Mg5MoRh6
Alexandria ALEXAlex-ID: agm062437795 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_89_spg12
Mg5MoRh6
2024-11-07 22:09:56.810995
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062437795).
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 agm062437795
data_agm062437795
_cell_length_a 6.98460
_cell_length_b 6.98460
_cell_length_c 6.18115
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.03329
_cell_volume 181.33440
_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
Mg1 Mg 0.16758 0.83242 0.50000 1.00000
Mg2 Mg 0.82900 0.17100 0.00000 1.00000
Mg3 Mg 0.50000 0.50000 0.50000 1.00000
Mg4 Mg 0.17100 0.82900 0.00000 1.00000
Mg5 Mg 0.83242 0.16758 0.50000 1.00000
Mo1 Mo 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.33963 0.66037 0.75304 1.00000
Rh2 Rh 0.33963 0.66037 0.24696 1.00000
Rh3 Rh 0.00000 0.00000 0.24054 1.00000
Rh4 Rh 0.00000 0.00000 0.75946 1.00000
Rh5 Rh 0.66037 0.33963 0.75304 1.00000
Rh6 Rh 0.66037 0.33963 0.24696 1.00000
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