Pu3Ti5Pt
Alexandria ALEXAlex-ID: agm072290950 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1332_spg8
Ti3Pt Pu Ti
2024-09-25 00:05:52.171006
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072290950).
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 agm072290950
data_agm072290950
_cell_length_a 4.57994
_cell_length_b 5.48581
_cell_length_c 7.12360
_cell_angle_alpha 103.25376
_cell_angle_beta 89.98892
_cell_angle_gamma 114.67345
_cell_volume 157.37983
_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
Pu1 Pu 0.55214 0.08547 0.40584 1.00000
Pu2 Pu 0.91570 0.81213 0.37406 1.00000
Pu3 Pu 0.76976 0.52019 0.66219 1.00000
Ti1 Ti 0.22299 0.42662 0.34894 1.00000
Ti2 Ti 0.14668 0.27426 0.72920 1.00000
Ti3 Ti 0.68026 0.34060 0.04682 1.00000
Ti4 Ti 0.45721 0.89504 0.70353 1.00000
Ti5 Ti 0.36647 0.71280 0.04822 1.00000
Pt1 Pt 0.01618 0.01221 0.01589 1.00000
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