Tm3Ga3Cu2Rh
Alexandria ALEXAlex-ID: agm040414899 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
TmGaCu TmGaRh
2024-12-08 09:44:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040414899).
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 agm040414899
data_agm040414899
_cell_length_a 6.86689
_cell_length_b 4.33694
_cell_length_c 22.42450
_cell_angle_alpha 90.00000
_cell_angle_beta 90.46631
_cell_angle_gamma 90.00000
_cell_volume 667.80779
_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 0.52714 0.00000 0.93604 1.00000
Tm2 Tm 0.50828 0.00000 0.60049 1.00000
Tm3 Tm 0.51217 0.00000 0.26600 1.00000
Tm4 Tm 0.02637 0.00000 0.89811 1.00000
Tm5 Tm 0.00452 0.00000 0.56709 1.00000
Tm6 Tm 0.00903 0.00000 0.23545 1.00000
Tm7 Tm 0.48887 0.50000 0.73608 1.00000
Tm8 Tm 0.49745 0.50000 0.40191 1.00000
Tm9 Tm 0.50012 0.50000 0.06888 1.00000
Tm10 Tm 0.98934 0.50000 0.76399 1.00000
Tm11 Tm 0.98865 0.50000 0.42942 1.00000
Tm12 Tm 0.99200 0.50000 0.09755 1.00000
Ga1 Ga 0.68476 0.00000 0.80920 1.00000
Ga2 Ga 0.68787 0.00000 0.47432 1.00000
Ga3 Ga 0.69265 0.00000 0.14076 1.00000
Ga4 Ga 0.17842 0.00000 0.69111 1.00000
Ga5 Ga 0.19183 0.00000 0.35998 1.00000
Ga6 Ga 0.19552 0.00000 0.02692 1.00000
Ga7 Ga 0.31963 0.50000 0.86276 1.00000
Ga8 Ga 0.30557 0.50000 0.52665 1.00000
Ga9 Ga 0.30710 0.50000 0.19433 1.00000
Ga10 Ga 0.82381 0.50000 0.97089 1.00000
Ga11 Ga 0.80767 0.50000 0.63809 1.00000
Ga12 Ga 0.81016 0.50000 0.30352 1.00000
Cu1 Cu 0.28814 0.00000 0.47020 1.00000
Cu2 Cu 0.29047 0.00000 0.13774 1.00000
Cu3 Cu 0.21460 0.50000 0.97105 1.00000
Cu4 Cu 0.20425 0.50000 0.63513 1.00000
Cu5 Cu 0.21121 0.50000 0.30368 1.00000
Cu6 Cu 0.71172 0.50000 0.86412 1.00000
Cu7 Cu 0.70048 0.50000 0.52959 1.00000
Cu8 Cu 0.69982 0.50000 0.19575 1.00000
Rh1 Rh 0.77253 0.00000 0.69729 1.00000
Rh2 Rh 0.78135 0.00000 0.36283 1.00000
Rh3 Rh 0.79339 0.00000 0.03059 1.00000
Rh4 Rh 0.28309 0.00000 0.80249 1.00000
