Ce6PuPt3
Alexandria ALEXAlex-ID: agm003579652 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_308_spg14
Ce6PuPt3
2022-04-26 05:09:54.821113
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003579652).
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 agm003579652
data_agm003579652
_cell_length_a 6.61602
_cell_length_b 7.53981
_cell_length_c 10.09875
_cell_angle_alpha 90.03461
_cell_angle_beta 88.75389
_cell_angle_gamma 90.01223
_cell_volume 503.64164
_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 0.68601 0.15742 0.94095 1.00000
Ce2 Ce 0.64529 0.20870 0.56297 1.00000
Ce3 Ce 0.63437 0.45882 0.27069 1.00000
Ce4 Ce 0.36563 0.54118 0.72931 1.00000
Ce5 Ce 0.35471 0.79130 0.43703 1.00000
Ce6 Ce 0.31399 0.84258 0.05905 1.00000
Ce7 Ce 0.18583 0.34255 0.44110 1.00000
Ce8 Ce 0.14533 0.29136 0.06324 1.00000
Ce9 Ce 0.13448 0.04113 0.77075 1.00000
Ce10 Ce 0.86552 0.95887 0.22925 1.00000
Ce11 Ce 0.85467 0.70864 0.93676 1.00000
Ce12 Ce 0.81417 0.65745 0.55890 1.00000
Pu1 Pu 0.50000 0.50000 0.50000 1.00000
Pu2 Pu 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.55436 0.90230 0.73659 1.00000
Pt2 Pt 0.50000 0.50000 0.00000 1.00000
Pt3 Pt 0.44564 0.09770 0.26341 1.00000
Pt4 Pt 0.05427 0.59793 0.23711 1.00000
Pt5 Pt 0.00000 0.00000 0.50000 1.00000
Pt6 Pt 0.94573 0.40207 0.76289 1.00000
