MnGa(H4Rh)2
Alexandria ALEXAlex-ID: agm007603826 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2092_spg1
MnH2 MnGa2Rh3 H2 H8Rh3
2024-03-05 22:41:02.847336
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007603826).
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 agm007603826
data_agm007603826
_cell_length_a 4.60847
_cell_length_b 4.87922
_cell_length_c 5.06063
_cell_angle_alpha 95.63632
_cell_angle_beta 88.14597
_cell_angle_gamma 114.99545
_cell_volume 102.63065
_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
Mn1 Mn 0.94987 0.94628 0.00299 1.00000
Ga1 Ga 0.68016 0.99038 0.44397 1.00000
H1 H 0.33551 0.57769 0.41224 1.00000
H2 H 0.35884 0.30026 0.12661 1.00000
H3 H 0.46275 0.24819 0.58266 1.00000
H4 H 0.87671 0.31322 0.16166 1.00000
H5 H 0.31343 0.88184 0.84625 1.00000
H6 H 0.07574 0.79970 0.28652 1.00000
H7 H 0.99893 0.49608 0.79629 1.00000
H8 H 0.56752 0.58204 0.86391 1.00000
Rh1 Rh 0.26642 0.61654 0.10510 1.00000
Rh2 Rh 0.61413 0.24777 0.87181 1.00000
Get direct link