Pu3Ga8Co3
Alexandria ALEXAlex-ID: agm005687868 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
Pu4Ga16Co3 GaCo PuGa2Co
2023-06-29 10:31:49.837122
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687868).
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 agm005687868
data_agm005687868
_cell_length_a 4.41368
_cell_length_b 8.07426
_cell_length_c 8.12739
_cell_angle_alpha 61.34734
_cell_angle_beta 74.24458
_cell_angle_gamma 74.13819
_cell_volume 241.08246
_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 0.28340 0.72216 0.71104 1.00000
Pu2 Pu 0.71660 0.27784 0.28896 1.00000
Pu3 Pu 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.13597 0.16037 0.56768 1.00000
Ga2 Ga 0.86403 0.83963 0.43232 1.00000
Ga3 Ga 0.86161 0.43533 0.84144 1.00000
Ga4 Ga 0.13839 0.56467 0.15856 1.00000
Ga5 Ga 0.50926 0.66126 0.32022 1.00000
Ga6 Ga 0.49074 0.33874 0.67978 1.00000
Ga7 Ga 0.35111 0.03487 0.26292 1.00000
Ga8 Ga 0.64889 0.96513 0.73708 1.00000
Co1 Co 0.00000 0.50000 0.50000 1.00000
Co2 Co 0.67396 0.64873 0.00336 1.00000
Co3 Co 0.32604 0.35127 0.99664 1.00000
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