MgBi(H3Rh)2
Alexandria ALEXAlex-ID: agm007705478 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_93_spg15
MgH5Rh2 BiH9 Bi2Rh Mg2H7Rh
2024-02-08 23:59:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007705478).
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 agm007705478
data_agm007705478
_cell_length_a 6.86417
_cell_length_b 6.86417
_cell_length_c 4.81461
_cell_angle_alpha 76.28550
_cell_angle_beta 76.28550
_cell_angle_gamma 85.47147
_cell_volume 214.03568
_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 0.11212 0.88788 0.25000 1.00000
Mg2 Mg 0.88788 0.11212 0.75000 1.00000
Bi1 Bi 0.61500 0.38500 0.25000 1.00000
Bi2 Bi 0.38500 0.61500 0.75000 1.00000
H1 H 0.62166 0.08371 0.05660 1.00000
H2 H 0.91629 0.37834 0.44340 1.00000
H3 H 0.37834 0.91629 0.94340 1.00000
H4 H 0.08371 0.62166 0.55660 1.00000
H5 H 0.78922 0.77219 0.14967 1.00000
H6 H 0.22781 0.21078 0.35033 1.00000
H7 H 0.21078 0.22781 0.85033 1.00000
H8 H 0.77219 0.78922 0.64967 1.00000
H9 H 0.44377 0.92591 0.38351 1.00000
H10 H 0.07409 0.55623 0.11649 1.00000
H11 H 0.55623 0.07409 0.61649 1.00000
H12 H 0.92591 0.44377 0.88351 1.00000
Rh1 Rh 0.96306 0.70752 0.84003 1.00000
Rh2 Rh 0.29248 0.03694 0.65997 1.00000
Rh3 Rh 0.03694 0.29248 0.15997 1.00000
Rh4 Rh 0.70752 0.96306 0.34003 1.00000
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