PuTl2CuO8
Alexandria ALEXAlex-ID: agm004900618 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_362_spg2
Tl(Cu3O4)2 PuO3 CuO5 Tl2O3
2023-01-06 08:26:37.660587
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004900618).
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 agm004900618
data_agm004900618
_cell_length_a 5.10873
_cell_length_b 4.95252
_cell_length_c 6.81425
_cell_angle_alpha 83.57691
_cell_angle_beta 95.42950
_cell_angle_gamma 96.42274
_cell_volume 169.66077
_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
Tl1 Tl 0.45150 0.55825 0.72934 1.00000
Tl2 Tl 0.54850 0.44175 0.27066 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
O1 O 0.17040 0.76472 0.18339 1.00000
O2 O 0.66720 0.73138 0.00134 1.00000
O3 O 0.88379 0.17732 0.25971 1.00000
O4 O 0.82960 0.23528 0.81661 1.00000
O5 O 0.33280 0.26862 0.99866 1.00000
O6 O 0.11621 0.82268 0.74029 1.00000
O7 O 0.68496 0.75445 0.48474 1.00000
O8 O 0.31504 0.24555 0.51526 1.00000
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