La3(ThRh2)2
Alexandria ALEXAlex-ID: agm005690091 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_992_spg12
LaTh5Rh6 La5Rh3 LaThRh2
2023-06-28 02:54:28.680811
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690091).
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 agm005690091
data_agm005690091
_cell_length_a 4.20224
_cell_length_b 7.24866
_cell_length_c 9.08111
_cell_angle_alpha 77.14712
_cell_angle_beta 76.62209
_cell_angle_gamma 73.15022
_cell_volume 253.94522
_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
La1 La 0.00000 0.00000 0.00000 1.00000
La2 La 0.19069 0.41704 0.20158 1.00000
La3 La 0.80931 0.58296 0.79842 1.00000
Th1 Th 0.61404 0.15665 0.61528 1.00000
Th2 Th 0.38596 0.84335 0.38472 1.00000
Rh1 Rh 0.78136 0.12370 0.31359 1.00000
Rh2 Rh 0.21864 0.87630 0.68641 1.00000
Rh3 Rh 0.41311 0.29438 0.87940 1.00000
Rh4 Rh 0.58689 0.70562 0.12060 1.00000
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