Pu2Sc5Cr2
Alexandria ALEXAlex-ID: agm009948543 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_488_spg12
Pu Sc Cr
2024-04-06 14:58:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009948543).
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 agm009948543
data_agm009948543
_cell_length_a 7.64580
_cell_length_b 7.64580
_cell_length_c 7.98744
_cell_angle_alpha 69.62262
_cell_angle_beta 69.62262
_cell_angle_gamma 25.18798
_cell_volume 185.64281
_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 0.30596 0.30596 0.48577 1.00000
Pu2 Pu 0.69404 0.69404 0.51423 1.00000
Sc1 Sc 0.80862 0.80862 0.81732 1.00000
Sc2 Sc 0.19138 0.19138 0.18268 1.00000
Sc3 Sc 0.89274 0.89274 0.12898 1.00000
Sc4 Sc 0.10726 0.10726 0.87102 1.00000
Sc5 Sc 0.00000 0.00000 0.50000 1.00000
Cr1 Cr 0.52887 0.52887 0.19106 1.00000
Cr2 Cr 0.47113 0.47113 0.80894 1.00000
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