MnSn(H4Rh)2
Alexandria ALEXAlex-ID: agm007758963 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_37_spg148
MnSnRh2 H2
2024-02-09 13:34:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007758963).
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 agm007758963
data_agm007758963
_cell_length_a 5.17675
_cell_length_b 4.63510
_cell_length_c 6.33033
_cell_angle_alpha 83.31741
_cell_angle_beta 76.88941
_cell_angle_gamma 48.93555
_cell_volume 111.42893
_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
Sn1 Sn 0.00000 0.50000 0.50000 1.00000
H1 H 0.29574 0.81660 0.56967 1.00000
H2 H 0.24048 0.67297 0.20672 1.00000
H3 H 0.70426 0.18340 0.43033 1.00000
H4 H 0.79623 0.51050 0.05937 1.00000
H5 H 0.20377 0.48950 0.94063 1.00000
H6 H 0.46257 0.00090 0.18186 1.00000
H7 H 0.53743 0.99910 0.81814 1.00000
H8 H 0.75952 0.32703 0.79328 1.00000
Rh1 Rh 0.55025 0.62764 0.30032 1.00000
Rh2 Rh 0.44975 0.37236 0.69968 1.00000
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