Mg5CrRh6
Alexandria ALEXAlex-ID: agm014906385 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Mg5CrRh6
2024-09-14 01:28:01.193753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014906385).
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 agm014906385
data_agm014906385
_cell_length_a 7.56605
_cell_length_b 7.56605
_cell_length_c 7.56605
_cell_angle_alpha 146.43810
_cell_angle_beta 131.43573
_cell_angle_gamma 60.32573
_cell_volume 177.84203
_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 0.82995 0.32995 0.50000 1.00000
Mg2 Mg 0.66638 0.66638 0.00000 1.00000
Mg3 Mg 0.50000 0.00000 0.50000 1.00000
Mg4 Mg 0.33362 0.33362 0.00000 1.00000
Mg5 Mg 0.17005 0.67005 0.50000 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.91812 0.16084 0.75728 1.00000
Rh2 Rh 0.40356 0.16084 0.24272 1.00000
Rh3 Rh 0.76223 0.50000 0.26223 1.00000
Rh4 Rh 0.23777 0.50000 0.73777 1.00000
Rh5 Rh 0.59644 0.83916 0.75728 1.00000
Rh6 Rh 0.08188 0.83916 0.24272 1.00000
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