Mn4H8Rh
Alexandria ALEXAlex-ID: agm097753346 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_159_spg12
MnH3Rh2 MnH2 Mn4H3
2025-06-16 01:28:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097753346).
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 agm097753346
data_agm097753346
_cell_length_a 4.82014
_cell_length_b 4.72735
_cell_length_c 5.21466
_cell_angle_alpha 121.62494
_cell_angle_beta 95.69375
_cell_angle_gamma 101.85993
_cell_volume 95.91565
_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 0.02029 0.89320 0.98323 1.00000
Mn2 Mn 0.56328 0.35283 0.42812 1.00000
Mn3 Mn 0.47909 0.66686 0.10638 1.00000
Mn4 Mn 0.99573 0.04311 0.55370 1.00000
H1 H 0.81061 0.08111 0.28008 1.00000
H2 H 0.64501 0.68192 0.82278 1.00000
H3 H 0.76945 0.61161 0.28977 1.00000
H4 H 0.87903 0.17163 0.89876 1.00000
H5 H 0.25479 0.96563 0.31482 1.00000
H6 H 0.13091 0.51067 0.84781 1.00000
H7 H 0.32673 0.26509 0.09045 1.00000
H8 H 0.12429 0.75853 0.62302 1.00000
Rh1 Rh 0.50078 0.99780 0.76108 1.00000
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