CaPr2PuO8
Alexandria ALEXAlex-ID: agm004906567 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_357_spg10
PrO2 Ca3PuO6 PrPuO5
2023-01-01 22:23:18.082220
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004906567).
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 agm004906567
data_agm004906567
_cell_length_a 4.15972
_cell_length_b 5.47598
_cell_length_c 7.67355
_cell_angle_alpha 89.99933
_cell_angle_beta 90.00010
_cell_angle_gamma 96.76970
_cell_volume 173.57355
_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 0.00000 0.00000 0.50000 1.00000
Pr1 Pr 0.49999 0.50001 0.74720 1.00000
Pr2 Pr 0.50001 0.49999 0.25280 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
O1 O 0.04938 0.76801 0.20541 1.00000
O2 O 0.57470 0.78697 1.00000 1.00000
O3 O 0.95062 0.23196 0.20542 1.00000
O4 O 0.95062 0.23199 0.79459 1.00000
O5 O 0.42530 0.21303 0.00000 1.00000
O6 O 0.04938 0.76804 0.79458 1.00000
O7 O 0.51225 0.74843 0.50000 1.00000
O8 O 0.48775 0.25157 0.50000 1.00000
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