Tm2TlRh3
Alexandria ALEXAlex-ID: agm032120337 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2913_spg63
TmTlRh2 Tm5TlRh6
2025-04-15 09:06:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032120337).
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 agm032120337
data_agm032120337
_cell_length_a 14.47383
_cell_length_b 14.47383
_cell_length_c 4.68570
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 152.80223
_cell_volume 448.66017
_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 0.87531 0.12469 0.75000 1.00000
Tm2 Tm 0.28649 0.71351 0.25000 1.00000
Tm3 Tm 0.71351 0.28649 0.75000 1.00000
Tm4 Tm 0.12469 0.87531 0.25000 1.00000
Tm5 Tm 0.62533 0.37467 0.25000 1.00000
Tm6 Tm 0.54171 0.45829 0.75000 1.00000
Tm7 Tm 0.45829 0.54171 0.25000 1.00000
Tm8 Tm 0.37467 0.62533 0.75000 1.00000
Tl1 Tl 0.79310 0.20690 0.25000 1.00000
Tl2 Tl 0.20690 0.79310 0.75000 1.00000
Tl3 Tl 0.04434 0.95566 0.75000 1.00000
Tl4 Tl 0.95566 0.04434 0.25000 1.00000
Rh1 Rh 0.53513 0.94724 0.75000 1.00000
Rh2 Rh 0.05276 0.46487 0.75000 1.00000
Rh3 Rh 0.46487 0.05276 0.25000 1.00000
Rh4 Rh 0.94724 0.53513 0.25000 1.00000
Rh5 Rh 0.38671 0.13479 0.75000 1.00000
Rh6 Rh 0.86521 0.61329 0.75000 1.00000
Rh7 Rh 0.78972 0.70828 0.25000 1.00000
Rh8 Rh 0.29172 0.21028 0.25000 1.00000
Rh9 Rh 0.21028 0.29172 0.75000 1.00000
Rh10 Rh 0.70828 0.78972 0.75000 1.00000
Rh11 Rh 0.61329 0.86521 0.25000 1.00000
Rh12 Rh 0.13479 0.38671 0.25000 1.00000
