La2P3Rh12Pb
Alexandria ALEXAlex-ID: agm004503545 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_99_spg166
La2PRh6 LaP2Rh5 Rh RhPb
2022-06-20 22:11:28.318938
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004503545).
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 agm004503545
data_agm004503545
_cell_length_a 7.38960
_cell_length_b 7.38960
_cell_length_c 7.38960
_cell_angle_alpha 67.94369
_cell_angle_beta 67.94369
_cell_angle_gamma 67.94369
_cell_volume 333.44992
_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 0.60181 0.60181 0.60181 1.00000
La2 La 0.39819 0.39819 0.39819 1.00000
P1 P 0.50000 0.00000 0.00000 1.00000
P2 P 0.00000 0.50000 0.00000 1.00000
P3 P 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.33636 0.33636 0.90780 1.00000
Rh2 Rh 0.85424 0.85424 0.39429 1.00000
Rh3 Rh 0.39429 0.85424 0.85424 1.00000
Rh4 Rh 0.90780 0.33636 0.33636 1.00000
Rh5 Rh 0.85424 0.39429 0.85424 1.00000
Rh6 Rh 0.33636 0.90780 0.33636 1.00000
Rh7 Rh 0.66364 0.66364 0.09220 1.00000
Rh8 Rh 0.14576 0.14576 0.60571 1.00000
Rh9 Rh 0.60571 0.14576 0.14576 1.00000
Rh10 Rh 0.09220 0.66364 0.66364 1.00000
Rh11 Rh 0.14576 0.60571 0.14576 1.00000
Rh12 Rh 0.66364 0.09220 0.66364 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Get direct link