La8Th6Rh
Alexandria ALEXAlex-ID: agm071594428 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_62_spg148
LaTh4 La ThRh
2024-10-07 06:09:54.914853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071594428).
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 agm071594428
data_agm071594428
_cell_length_a 8.28589
_cell_length_b 8.28589
_cell_length_c 8.28589
_cell_angle_alpha 73.05865
_cell_angle_beta 73.05865
_cell_angle_gamma 73.05865
_cell_volume 507.14817
_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 0.25564 0.25564 0.25564 1.00000
La2 La 0.74436 0.74436 0.74436 1.00000
La3 La 0.87417 0.04225 0.34578 1.00000
La4 La 0.34578 0.87417 0.04225 1.00000
La5 La 0.04225 0.34578 0.87417 1.00000
La6 La 0.12583 0.95775 0.65422 1.00000
La7 La 0.65422 0.12583 0.95775 1.00000
La8 La 0.95775 0.65422 0.12583 1.00000
Th1 Th 0.18994 0.59460 0.47091 1.00000
Th2 Th 0.47091 0.18994 0.59460 1.00000
Th3 Th 0.59460 0.47091 0.18994 1.00000
Th4 Th 0.81006 0.40540 0.52909 1.00000
Th5 Th 0.52909 0.81006 0.40540 1.00000
Th6 Th 0.40540 0.52909 0.81006 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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