Ce2PuSc6
Alexandria ALEXAlex-ID: agm005772320 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2213_spg74
Ce6Pu Pu Sc
2023-07-09 13:13:24.908056
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772320).
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 agm005772320
data_agm005772320
_cell_length_a 5.20496
_cell_length_b 11.15149
_cell_length_c 11.15160
_cell_angle_alpha 47.91474
_cell_angle_beta 103.46604
_cell_angle_gamma 103.46773
_cell_volume 464.51262
_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
Ce1 Ce 0.53984 0.41811 0.16222 1.00000
Ce2 Ce 0.96017 0.83779 0.58190 1.00000
Ce3 Ce 0.46016 0.58189 0.83778 1.00000
Ce4 Ce 0.03983 0.16221 0.41810 1.00000
Pu1 Pu 0.24999 0.90228 0.09770 1.00000
Pu2 Pu 0.75001 0.09772 0.90230 1.00000
Sc1 Sc 0.67003 0.32652 0.51503 1.00000
Sc2 Sc 0.82998 0.48495 0.67350 1.00000
Sc3 Sc 0.32997 0.67348 0.48497 1.00000
Sc4 Sc 0.17002 0.51505 0.32650 1.00000
Sc5 Sc 0.17095 0.12114 0.72166 1.00000
Sc6 Sc 0.32904 0.27831 0.87889 1.00000
Sc7 Sc 0.82905 0.87886 0.27834 1.00000
Sc8 Sc 0.67096 0.72169 0.12111 1.00000
Sc9 Sc 0.92453 0.29598 0.05244 1.00000
Sc10 Sc 0.57552 0.94757 0.70409 1.00000
Sc11 Sc 0.07547 0.70402 0.94756 1.00000
Sc12 Sc 0.42448 0.05243 0.29591 1.00000
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