Pu2UPt2
Alexandria ALEXAlex-ID: agm005961444 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_484_spg12
U PuPt
2023-08-04 10:22:34.317189
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961444).
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 agm005961444
data_agm005961444
_cell_length_a 4.55922
_cell_length_b 5.73386
_cell_length_c 9.19849
_cell_angle_alpha 102.29457
_cell_angle_beta 75.65118
_cell_angle_gamma 66.57366
_cell_volume 200.21173
_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 0.03505 0.31960 0.61030 1.00000
Pu2 Pu 0.69885 0.77231 0.82999 1.00000
Pu3 Pu 0.96495 0.68040 0.38970 1.00000
Pu4 Pu 0.30115 0.22769 0.17001 1.00000
U1 U 0.46385 0.30127 0.77102 1.00000
U2 U 0.53615 0.69873 0.22898 1.00000
Pt1 Pt 0.68970 0.22651 0.39409 1.00000
Pt2 Pt 0.93369 0.20105 0.93156 1.00000
Pt3 Pt 0.31030 0.77349 0.60591 1.00000
Pt4 Pt 0.06631 0.79895 0.06844 1.00000
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