Sc2MnRh3
Alexandria ALEXAlex-ID: agm040691878 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2913_spg63
Sc2MnRh3
2025-04-15 09:10:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040691878).
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 agm040691878
data_agm040691878
_cell_length_a 13.85088
_cell_length_b 13.85088
_cell_length_c 4.51265
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 153.84559
_cell_volume 381.61015
_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
Sc1 Sc 0.37471 0.62529 0.25000 1.00000
Sc2 Sc 0.45841 0.54159 0.75000 1.00000
Sc3 Sc 0.54159 0.45841 0.25000 1.00000
Sc4 Sc 0.62529 0.37471 0.75000 1.00000
Sc5 Sc 0.12474 0.87526 0.75000 1.00000
Sc6 Sc 0.71120 0.28880 0.25000 1.00000
Sc7 Sc 0.28880 0.71120 0.75000 1.00000
Sc8 Sc 0.87526 0.12474 0.25000 1.00000
Mn1 Mn 0.95856 0.04144 0.75000 1.00000
Mn2 Mn 0.04144 0.95856 0.25000 1.00000
Mn3 Mn 0.20825 0.79175 0.25000 1.00000
Mn4 Mn 0.79175 0.20825 0.75000 1.00000
Rh1 Rh 0.71648 0.79804 0.25000 1.00000
Rh2 Rh 0.20196 0.28352 0.25000 1.00000
Rh3 Rh 0.28352 0.20196 0.75000 1.00000
Rh4 Rh 0.79804 0.71648 0.75000 1.00000
Rh5 Rh 0.87763 0.62682 0.25000 1.00000
Rh6 Rh 0.37318 0.12237 0.25000 1.00000
Rh7 Rh 0.95800 0.54158 0.75000 1.00000
Rh8 Rh 0.45842 0.04200 0.75000 1.00000
Rh9 Rh 0.04200 0.45842 0.25000 1.00000
Rh10 Rh 0.54158 0.95800 0.25000 1.00000
Rh11 Rh 0.12237 0.37318 0.75000 1.00000
Rh12 Rh 0.62682 0.87763 0.75000 1.00000
