Mg6HRu2Rh3
Alexandria ALEXAlex-ID: agm006719081 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_176_spg12
Mg7Rh5 Mg2Rh Mg2H4Ru Ru
2024-06-24 12:09:24.361243
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006719081).
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 agm006719081
data_agm006719081
_cell_length_a 7.04433
_cell_length_b 7.04433
_cell_length_c 6.31791
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.61873
_cell_volume 185.96078
_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 0.34549 0.65451 0.23645 1.00000
Mg2 Mg 0.00000 0.00000 0.74306 1.00000
Mg3 Mg 0.65451 0.34549 0.76355 1.00000
Mg4 Mg 0.65451 0.34549 0.23645 1.00000
Mg5 Mg 0.00000 0.00000 0.25694 1.00000
Mg6 Mg 0.34549 0.65451 0.76355 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
Ru1 Ru 0.19898 0.80102 0.50000 1.00000
Ru2 Ru 0.80102 0.19898 0.50000 1.00000
Rh1 Rh 0.83380 0.16620 0.00000 1.00000
Rh2 Rh 0.16620 0.83380 0.00000 1.00000
Rh3 Rh 0.50000 0.50000 0.00000 1.00000
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