Mg3Rh2
Alexandria ALEXAlex-ID: agm005506889 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_55_spg43
Mg2Rh Mg7Rh5
2023-03-20 07:18:09.659663
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506889).
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 agm005506889
data_agm005506889
_cell_length_a 8.14884
_cell_length_b 7.17490
_cell_length_c 5.35277
_cell_angle_alpha 79.70477
_cell_angle_beta 60.03211
_cell_angle_gamma 40.26313
_cell_volume 163.36828
_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 0.73719 0.47578 0.35321 1.00000
Mg2 Mg 0.43382 0.35321 0.47578 1.00000
Mg3 Mg 0.77422 0.51281 0.81618 1.00000
Mg4 Mg 0.89679 0.81618 0.51281 1.00000
Mg5 Mg 0.08500 0.91500 0.91500 1.00000
Mg6 Mg 0.33500 0.16500 0.16500 1.00000
Rh1 Rh 0.19953 0.90223 0.35378 1.00000
Rh2 Rh 0.54446 0.35378 0.90223 1.00000
Rh3 Rh 0.34777 0.05047 0.70554 1.00000
Rh4 Rh 0.89622 0.70554 0.05047 1.00000
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