Pu3Ti2Co7
Alexandria ALEXAlex-ID: agm024278924 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_313_spg12
Ti9Co11 Pu PuCo2
2025-05-17 15:42:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024278924).
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 agm024278924
data_agm024278924
_cell_length_a 5.15046
_cell_length_b 5.15046
_cell_length_c 8.36696
_cell_angle_alpha 72.07135
_cell_angle_beta 107.92865
_cell_angle_gamma 119.98875
_cell_volume 179.68225
_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 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.86162 0.13838 0.58482 1.00000
Pu3 Pu 0.13838 0.86162 0.41518 1.00000
Ti1 Ti 0.66531 0.33469 0.99584 1.00000
Ti2 Ti 0.33469 0.66531 0.00416 1.00000
Co1 Co 0.50000 0.50000 0.50000 1.00000
Co2 Co 0.41405 0.08372 0.74410 1.00000
Co3 Co 0.91628 0.58595 0.74410 1.00000
Co4 Co 0.41401 0.58599 0.74410 1.00000
Co5 Co 0.58595 0.91628 0.25590 1.00000
Co6 Co 0.58599 0.41401 0.25590 1.00000
Co7 Co 0.08372 0.41405 0.25590 1.00000
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