Mg2H4Rh5
Alexandria ALEXAlex-ID: agm006351237 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_1795_spg2
MgH2Rh Rh
2024-02-24 11:16:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006351237).
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 agm006351237
data_agm006351237
_cell_length_a 4.24088
_cell_length_b 5.41438
_cell_length_c 5.55501
_cell_angle_alpha 99.25405
_cell_angle_beta 91.66453
_cell_angle_gamma 90.30066
_cell_volume 125.83299
_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 0.43216 0.21347 0.20019 1.00000
Mg2 Mg 0.56784 0.78653 0.79981 1.00000
H1 H 0.88855 0.17704 0.80691 1.00000
H2 H 0.11145 0.82296 0.19309 1.00000
H3 H 0.24683 0.51770 0.76117 1.00000
H4 H 0.75317 0.48230 0.23883 1.00000
Rh1 Rh 0.00000 0.50000 0.00000 1.00000
Rh2 Rh 0.00000 0.50000 0.50000 1.00000
Rh3 Rh 0.00000 0.00000 0.50000 1.00000
Rh4 Rh 0.51123 0.25717 0.70041 1.00000
Rh5 Rh 0.48877 0.74283 0.29959 1.00000
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