Er7Pu2Sc3
Alexandria ALEXAlex-ID: agm101096504 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_696_spg8
Er Pu Sc
2025-05-17 13:00:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101096504).
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 agm101096504
data_agm101096504
_cell_length_a 5.96735
_cell_length_b 5.96748
_cell_length_c 11.55239
_cell_angle_alpha 75.04422
_cell_angle_beta 75.03667
_cell_angle_gamma 60.01325
_cell_volume 340.11526
_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
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.58297 0.24663 0.24994 1.00000
Er3 Er 0.92085 0.58221 0.24997 1.00000
Er4 Er 0.24734 0.92012 0.24993 1.00000
Er5 Er 0.41703 0.75337 0.75006 1.00000
Er6 Er 0.75266 0.07988 0.75007 1.00000
Er7 Er 0.07915 0.41779 0.75003 1.00000
Pu1 Pu 0.66595 0.66594 0.00202 1.00000
Pu2 Pu 0.33405 0.33406 0.99798 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Sc2 Sc 0.83374 0.83371 0.49873 1.00000
Sc3 Sc 0.16626 0.16629 0.50127 1.00000
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