SmMn(H4Rh)2
Alexandria ALEXAlex-ID: agm007403910 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_193_spg2
MnH2 MnH3Rh2 Mn4H3 SmH6Rh
2024-03-26 09:21:57.943192
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007403910).
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 agm007403910
data_agm007403910
_cell_length_a 4.79061
_cell_length_b 4.79278
_cell_length_c 6.58472
_cell_angle_alpha 72.37858
_cell_angle_beta 107.62913
_cell_angle_gamma 133.63766
_cell_volume 103.31139
_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
Sm1 Sm 0.62231 0.99389 0.58841 1.00000
Mn1 Mn 0.12269 0.49354 0.08856 1.00000
H1 H 0.15201 0.46391 0.81915 1.00000
H2 H 0.86442 0.75118 0.94306 1.00000
H3 H 0.09294 0.52349 0.35765 1.00000
H4 H 0.55255 0.06159 0.93632 1.00000
H5 H 0.69234 0.92577 0.24013 1.00000
H6 H 0.33458 0.28315 0.64678 1.00000
H7 H 0.91025 0.70468 0.52951 1.00000
H8 H 0.38063 0.23611 0.23299 1.00000
Rh1 Rh 0.35921 0.25610 0.90523 1.00000
Rh2 Rh 0.88576 0.73134 0.27116 1.00000
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