Sr2PuAs2
Alexandria ALEXAlex-ID: agm005963151 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_30_spg72
Pu4As3 Sr3As2 Pu
2023-08-03 10:08:55.038258
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963151).
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 agm005963151
data_agm005963151
_cell_length_a 6.19810
_cell_length_b 8.11910
_cell_length_c 8.08731
_cell_angle_alpha 120.13009
_cell_angle_beta 112.53437
_cell_angle_gamma 89.99999
_cell_volume 315.54784
_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 0.85285 0.70800 0.70569 1.00000
Sr2 Sr 0.14715 0.29201 0.29431 1.00000
Sr3 Sr 0.64715 0.00231 0.29431 1.00000
Sr4 Sr 0.35285 0.99769 0.70569 1.00000
Pu1 Pu 0.75000 0.50000 0.00000 1.00000
Pu2 Pu 0.25000 0.50000 0.00000 1.00000
As1 As 0.38577 0.63971 0.77156 1.00000
As2 As 0.61423 0.36029 0.22844 1.00000
As3 As 0.11423 0.86815 0.22844 1.00000
As4 As 0.88577 0.13185 0.77156 1.00000
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