Th4TlRh
Alexandria ALEXAlex-ID: agm003752802 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1194_spg82
Th7Rh3 Th6Tl2Rh ThRh
2022-04-18 22:14:08.561890
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003752802).
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 agm003752802
data_agm003752802
_cell_length_a 6.95835
_cell_length_b 6.95835
_cell_length_c 6.14260
_cell_angle_alpha 124.49961
_cell_angle_beta 124.49961
_cell_angle_gamma 90.00000
_cell_volume 178.04779
_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
Th1 Th 0.28546 0.82930 0.22167 1.00000
Th2 Th 0.93621 0.39237 0.22167 1.00000
Th3 Th 0.17070 0.06379 0.77833 1.00000
Th4 Th 0.60763 0.71454 0.77833 1.00000
Tl1 Tl 0.75000 0.25000 0.50000 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
