Tm2MnHRh6
Alexandria ALEXAlex-ID: agm004930833 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_455_spg166
TmHRh3 TmRh2 MnRh
2022-07-23 16:36:22.804685
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004930833).
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 agm004930833
data_agm004930833
_cell_length_a 5.59838
_cell_length_b 6.50209
_cell_length_c 5.59834
_cell_angle_alpha 64.54007
_cell_angle_beta 59.99843
_cell_angle_gamma 90.00279
_cell_volume 153.20027
_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
Tm1 Tm 0.72119 0.16359 0.55750 1.00000
Tm2 Tm 0.27881 0.83641 0.44250 1.00000
Mn1 Mn 1.00000 1.00000 0.00000 1.00000
H1 H 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.26839 0.30735 0.46318 1.00000
Rh2 Rh 0.73144 0.69308 0.03827 1.00000
Rh3 Rh 0.23025 0.69305 0.03832 1.00000
Rh4 Rh 0.76975 0.30695 0.96168 1.00000
Rh5 Rh 0.26856 0.30691 0.96173 1.00000
Rh6 Rh 0.73161 0.69265 0.53682 1.00000
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