Pu4Mn2Rh5
Alexandria ALEXAlex-ID: agm012616439 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_36_spg72
PuRh2 Mn PuRh
2024-06-24 11:45:41.944422
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012616439).
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 agm012616439
data_agm012616439
_cell_length_a 10.07255
_cell_length_b 10.07255
_cell_length_c 10.07255
_cell_angle_alpha 147.77735
_cell_angle_beta 130.44501
_cell_angle_gamma 60.35000
_cell_volume 410.98235
_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 0.29434 0.56334 0.73100 1.00000
Pu2 Pu 0.70566 0.43666 0.26900 1.00000
Pu3 Pu 0.16767 0.93666 0.23100 1.00000
Pu4 Pu 0.83233 0.06334 0.76900 1.00000
Pu5 Pu 0.47391 0.84958 0.62433 1.00000
Pu6 Pu 0.52609 0.15042 0.37567 1.00000
Pu7 Pu 0.77474 0.65042 0.12433 1.00000
Pu8 Pu 0.22526 0.34958 0.87567 1.00000
Mn1 Mn 0.80170 0.05170 0.25000 1.00000
Mn2 Mn 0.19830 0.44830 0.25000 1.00000
Mn3 Mn 0.19830 0.94830 0.75000 1.00000
Mn4 Mn 0.80170 0.55170 0.75000 1.00000
Rh1 Rh 0.50000 0.75000 0.25000 1.00000
Rh2 Rh 0.50000 0.25000 0.75000 1.00000
Rh3 Rh 0.83899 0.92493 0.91406 1.00000
Rh4 Rh 0.16101 0.07507 0.08594 1.00000
Rh5 Rh 0.98914 0.57507 0.41406 1.00000
Rh6 Rh 0.01086 0.42493 0.58594 1.00000
Rh7 Rh 0.50705 0.71386 0.79319 1.00000
Rh8 Rh 0.49295 0.28614 0.20681 1.00000
Rh9 Rh 0.92067 0.21386 0.70681 1.00000
Rh10 Rh 0.07933 0.78614 0.29319 1.00000
