MnSi(H4Rh)2
Alexandria ALEXAlex-ID: agm007480163 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_238_spg1
Si2Rh3 SiH20 MnH2 H8Rh3
2024-02-07 23:53:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007480163).
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 agm007480163
data_agm007480163
_cell_length_a 4.05688
_cell_length_b 4.56873
_cell_length_c 5.36011
_cell_angle_alpha 85.21243
_cell_angle_beta 83.98580
_cell_angle_gamma 74.37833
_cell_volume 94.99355
_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 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.00000 0.50000 0.50000 1.00000
H1 H 0.87701 0.23908 0.27826 1.00000
H2 H 0.65635 0.64375 0.91964 1.00000
H3 H 0.12299 0.76092 0.72174 1.00000
H4 H 0.34365 0.35625 0.08036 1.00000
H5 H 0.23777 0.16132 0.70389 1.00000
H6 H 0.76223 0.83868 0.29611 1.00000
H7 H 0.75009 0.09054 0.73290 1.00000
H8 H 0.24991 0.90946 0.26710 1.00000
Rh1 Rh 0.44685 0.42263 0.76064 1.00000
Rh2 Rh 0.55315 0.57737 0.23936 1.00000
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