Pu3In7Rh4
Alexandria ALEXAlex-ID: agm005705495 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
PuIn2Rh In5Rh4 PuInRh
2023-06-29 21:39:08.988745
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705495).
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 agm005705495
data_agm005705495
_cell_length_a 4.23922
_cell_length_b 8.46546
_cell_length_c 9.63282
_cell_angle_alpha 69.44641
_cell_angle_beta 77.29819
_cell_angle_gamma 75.24614
_cell_volume 309.74806
_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 0.30605 0.17851 0.20952 1.00000
Pu2 Pu 0.69395 0.82149 0.79048 1.00000
Pu3 Pu 1.00000 0.50000 0.50000 1.00000
In1 In 0.32091 0.83974 0.51844 1.00000
In2 In 0.49026 0.23917 0.77959 1.00000
In3 In 0.83274 0.39617 0.93736 1.00000
In4 In 0.67908 0.16026 0.48156 1.00000
In5 In 0.16726 0.60383 0.06264 1.00000
In6 In 0.00000 0.00000 0.00000 1.00000
In7 In 0.50974 0.76083 0.22041 1.00000
Rh1 Rh 0.67394 0.42698 0.22948 1.00000
Rh2 Rh 0.32606 0.57302 0.77052 1.00000
Rh3 Rh 0.88025 0.92184 0.31566 1.00000
Rh4 Rh 0.11975 0.07816 0.68434 1.00000
Get direct link