Pr2Pu3PaAs6
Alexandria ALEXAlex-ID: agm045657923 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Pr5PaAs6 Pu5PaAs6
2025-03-10 14:57:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045657923).
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 agm045657923
data_agm045657923
_cell_length_a 7.27358
_cell_length_b 7.27358
_cell_length_c 7.22900
_cell_angle_alpha 80.33713
_cell_angle_beta 99.66287
_cell_angle_gamma 60.03988
_cell_volume 312.13984
_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
Pr1 Pr 0.33414 0.33414 0.50000 1.00000
Pr2 Pr 0.66586 0.66586 0.50000 1.00000
Pu1 Pu 0.17019 0.17019 0.00000 1.00000
Pu2 Pu 0.82981 0.82981 0.00000 1.00000
Pu3 Pu 0.50000 0.50000 0.00000 1.00000
Pa1 Pa 0.00000 0.00000 0.50000 1.00000
As1 As 0.40628 0.91548 0.75463 1.00000
As2 As 0.23530 0.76470 0.24388 1.00000
As3 As 0.59372 0.08452 0.24537 1.00000
As4 As 0.08452 0.59372 0.75463 1.00000
As5 As 0.76470 0.23530 0.75612 1.00000
As6 As 0.91548 0.40628 0.24537 1.00000
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