Pu2AsPt
Alexandria ALEXAlex-ID: agm003633041 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_537_spg63
PuAs PuPt
2022-04-29 04:24:38.591894
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003633041).
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 agm003633041
data_agm003633041
_cell_length_a 4.05080
_cell_length_b 4.31291
_cell_length_c 10.35813
_cell_angle_alpha 102.01628
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 176.99878
_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 0.75000 0.68024 0.36049 1.00000
Pu2 Pu 0.25000 0.31976 0.63951 1.00000
Pu3 Pu 0.75000 0.06180 0.12359 1.00000
Pu4 Pu 0.25000 0.93820 0.87641 1.00000
As1 As 0.25000 0.17683 0.35366 1.00000
As2 As 0.75000 0.82317 0.64634 1.00000
Pt1 Pt 0.25000 0.55315 0.10630 1.00000
Pt2 Pt 0.75000 0.44685 0.89370 1.00000
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