Ca(PuPt)3
Alexandria ALEXAlex-ID: agm005904052 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_286_spg166
Pu4Pt3 Ca2Pu3Pt4 Pu
2023-08-04 18:13:36.729021
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005904052).
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 agm005904052
data_agm005904052
_cell_length_a 6.10062
_cell_length_b 5.89070
_cell_length_c 6.10062
_cell_angle_alpha 108.77565
_cell_angle_beta 110.15775
_cell_angle_gamma 108.77566
_cell_volume 170.19566
_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
Ca1 Ca 1.00000 0.50311 1.00000 1.00000
Pu1 Pu 0.49967 0.00357 0.00000 1.00000
Pu2 Pu 0.50033 0.50389 0.50033 1.00000
Pu3 Pu 0.00000 0.00357 0.49967 1.00000
Pt1 Pt 0.50010 0.50365 0.00000 1.00000
Pt2 Pt 0.49990 0.00356 0.49990 1.00000
Pt3 Pt 0.00000 0.50365 0.50010 1.00000
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