Gd2PuSc9
Alexandria ALEXAlex-ID: agm101736293 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_210_spg65
Gd Pu Sc
2025-05-21 06:01:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101736293).
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 agm101736293
data_agm101736293
_cell_length_a 10.49476
_cell_length_b 10.49476
_cell_length_c 3.23082
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.98954
_cell_volume 308.20072
_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
Gd1 Gd 0.33321 0.66679 0.00018 1.00000
Gd2 Gd 0.66679 0.33321 0.00018 1.00000
Pu1 Pu 0.00000 0.00000 0.99995 1.00000
Sc1 Sc 0.17221 0.82779 0.49998 1.00000
Sc2 Sc 0.00000 0.50000 0.00005 1.00000
Sc3 Sc 0.50000 0.50000 0.00047 1.00000
Sc4 Sc 0.17250 0.34492 0.50023 1.00000
Sc5 Sc 0.82779 0.17221 0.49998 1.00000
Sc6 Sc 0.34492 0.17250 0.50023 1.00000
Sc7 Sc 0.82750 0.65508 0.50023 1.00000
Sc8 Sc 0.50000 0.00000 0.00005 1.00000
Sc9 Sc 0.65508 0.82750 0.50023 1.00000
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