Ti2MnInRh4
Alexandria ALEXAlex-ID: agm032829233 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
TiMnRh2 TiInRh2
2025-01-03 19:29:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032829233).
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 agm032829233
data_agm032829233
_cell_length_a 7.67332
_cell_length_b 7.67332
_cell_length_c 7.67332
_cell_angle_alpha 33.37983
_cell_angle_beta 33.37983
_cell_angle_gamma 33.37983
_cell_volume 121.78303
_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
Ti1 Ti 0.24772 0.24772 0.24772 1.00000
Ti2 Ti 0.75228 0.75228 0.75228 1.00000
Mn1 Mn 0.50000 0.50000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.62139 0.62139 0.62139 1.00000
Rh2 Rh 0.12802 0.12802 0.12802 1.00000
Rh3 Rh 0.87198 0.87198 0.87198 1.00000
Rh4 Rh 0.37861 0.37861 0.37861 1.00000
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