PuMnRh3
Alexandria ALEXAlex-ID: agm013199575 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_231_spg2
PuRh2 MnRh
2024-07-10 22:33:47.283767
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013199575).
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
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# CIF generated by HEAS from Alexandria entry agm013199575
data_agm013199575
_cell_length_a 4.76528
_cell_length_b 5.63492
_cell_length_c 6.54814
_cell_angle_alpha 100.92177
_cell_angle_beta 104.22860
_cell_angle_gamma 99.53967
_cell_volume 163.13274
_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 0.67202 0.63479 0.87056 1.00000
Pu2 Pu 0.32798 0.36521 0.12944 1.00000
Mn1 Mn 0.85384 0.06158 0.31215 1.00000
Mn2 Mn 0.14616 0.93842 0.68785 1.00000
Rh1 Rh 0.94884 0.58048 0.31077 1.00000
Rh2 Rh 0.26984 0.85938 0.09129 1.00000
Rh3 Rh 0.43878 0.22400 0.49385 1.00000
Rh4 Rh 0.56122 0.77600 0.50615 1.00000
Rh5 Rh 0.05116 0.41952 0.68923 1.00000
Rh6 Rh 0.73016 0.14062 0.90871 1.00000
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