Pu2Te3Rh
Alexandria ALEXAlex-ID: agm005746554 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2940_spg62
Te8Rh9 PuRh3 Pu3Te4
2023-08-29 22:51:21.029176
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005746554).
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 agm005746554
data_agm005746554
_cell_length_a 4.19051
_cell_length_b 14.88931
_cell_length_c 11.27659
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 703.58947
_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
Pu1 Pu 0.25000 0.73852 0.50692 1.00000
Pu2 Pu 0.75000 0.26148 0.49308 1.00000
Pu3 Pu 0.75000 0.23852 0.99308 1.00000
Pu4 Pu 0.25000 0.76148 0.00692 1.00000
Pu5 Pu 0.25000 0.99419 0.28930 1.00000
Pu6 Pu 0.75000 0.00581 0.71070 1.00000
Pu7 Pu 0.75000 0.49419 0.21070 1.00000
Pu8 Pu 0.25000 0.50581 0.78930 1.00000
Te1 Te 0.25000 0.39185 0.04364 1.00000
Te2 Te 0.75000 0.60815 0.95636 1.00000
Te3 Te 0.75000 0.89185 0.45636 1.00000
Te4 Te 0.25000 0.10815 0.54364 1.00000
Te5 Te 0.25000 0.65729 0.24958 1.00000
Te6 Te 0.75000 0.34271 0.75042 1.00000
Te7 Te 0.75000 0.15729 0.25042 1.00000
Te8 Te 0.25000 0.84271 0.74958 1.00000
Te9 Te 0.25000 0.39127 0.38042 1.00000
Te10 Te 0.75000 0.60873 0.61958 1.00000
Te11 Te 0.75000 0.89127 0.11958 1.00000
Te12 Te 0.25000 0.10873 0.88042 1.00000
Rh1 Rh 0.25000 0.12223 0.11419 1.00000
Rh2 Rh 0.75000 0.87777 0.88581 1.00000
Rh3 Rh 0.75000 0.62223 0.38581 1.00000
Rh4 Rh 0.25000 0.37777 0.61419 1.00000
