SrPu(PO4)2
Alexandria ALEXAlex-ID: agm064246453 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_249_spg5
Sr2P2O7 Pu2P2O9
2024-10-16 08:10:36.090033
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm064246453).
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 agm064246453
data_agm064246453
_cell_length_a 4.97908
_cell_length_b 4.97908
_cell_length_c 7.92112
_cell_angle_alpha 88.80787
_cell_angle_beta 88.80787
_cell_angle_gamma 65.94095
_cell_volume 179.25938
_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
Sr1 Sr 0.04577 0.95423 0.50000 1.00000
Pu1 Pu 0.00851 0.99149 0.00000 1.00000
P1 P 0.36377 0.36921 0.76335 1.00000
P2 P 0.63079 0.63623 0.23665 1.00000
O1 O 0.29400 0.71544 0.21163 1.00000
O2 O 0.25138 0.33050 0.59290 1.00000
O3 O 0.21962 0.28125 0.91944 1.00000
O4 O 0.71875 0.78038 0.08056 1.00000
O5 O 0.66950 0.74862 0.40710 1.00000
O6 O 0.80822 0.29513 0.22419 1.00000
O7 O 0.28456 0.70600 0.78837 1.00000
O8 O 0.70487 0.19178 0.77581 1.00000
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