Ac2Pu3Rh4
Alexandria ALEXAlex-ID: agm005662335 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_724_spg64
PuRh Pu AcRh
2023-06-28 04:20:24.908294
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662335).
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 agm005662335
data_agm005662335
_cell_length_a 6.31727
_cell_length_b 8.17479
_cell_length_c 8.87249
_cell_angle_alpha 89.99979
_cell_angle_beta 110.85494
_cell_angle_gamma 90.00000
_cell_volume 428.17751
_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
Ac1 Ac 0.10730 0.59332 0.21459 1.00000
Ac2 Ac 0.89270 0.40668 0.78541 1.00000
Ac3 Ac 0.39270 0.09332 0.78541 1.00000
Ac4 Ac 0.60730 0.90668 0.21459 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.50000 0.50000 0.00000 1.00000
Pu3 Pu 0.53680 0.75000 0.57360 1.00000
Pu4 Pu 0.96320 0.25000 0.42640 1.00000
Pu5 Pu 0.46320 0.25000 0.42640 1.00000
Pu6 Pu 0.03680 0.75000 0.57360 1.00000
Rh1 Rh 0.70164 0.75000 0.90328 1.00000
Rh2 Rh 0.79836 0.25000 0.09672 1.00000
Rh3 Rh 0.29836 0.25000 0.09672 1.00000
Rh4 Rh 0.20164 0.75000 0.90328 1.00000
Rh5 Rh 0.17639 0.95743 0.35277 1.00000
Rh6 Rh 0.82361 0.04257 0.64723 1.00000
Rh7 Rh 0.32361 0.45743 0.64723 1.00000
Rh8 Rh 0.67639 0.54257 0.35277 1.00000
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