Pu2Sc2Mn5
Alexandria ALEXAlex-ID: agm011985113 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_222_spg12
PuSc2Mn3 Pu Mn
2024-06-01 15:29:20.260265
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011985113).
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 agm011985113
data_agm011985113
_cell_length_a 7.01418
_cell_length_b 7.01418
_cell_length_c 8.04753
_cell_angle_alpha 108.68281
_cell_angle_beta 108.68281
_cell_angle_gamma 25.16980
_cell_volume 159.06082
_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 0.33639 0.33639 0.82997 1.00000
Pu2 Pu 0.66361 0.66361 0.17003 1.00000
Sc1 Sc 0.42611 0.42611 0.24769 1.00000
Sc2 Sc 0.57389 0.57389 0.75231 1.00000
Mn1 Mn 0.91365 0.91365 0.54402 1.00000
Mn2 Mn 0.08635 0.08635 0.45598 1.00000
Mn3 Mn 0.27544 0.27544 0.40071 1.00000
Mn4 Mn 0.72456 0.72456 0.59929 1.00000
Mn5 Mn 0.00000 0.00000 0.00000 1.00000
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