Pu2BiAu3
Alexandria ALEXAlex-ID: agm005668192 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2142_spg11
PuBi2 PuAu2
2023-08-07 18:20:39.039872
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668192).
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 agm005668192
data_agm005668192
_cell_length_a 9.13733
_cell_length_b 8.20073
_cell_length_c 7.92095
_cell_angle_alpha 104.58579
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 574.40991
_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 0.25000 0.85055 0.03811 1.00000
Pu2 Pu 0.75000 0.14945 0.96189 1.00000
Pu3 Pu 0.25000 0.50401 0.95552 1.00000
Pu4 Pu 0.25000 0.38707 0.39089 1.00000
Pu5 Pu 0.25000 0.01282 0.67432 1.00000
Pu6 Pu 0.75000 0.49599 0.04448 1.00000
Pu7 Pu 0.75000 0.61293 0.60911 1.00000
Pu8 Pu 0.75000 0.98718 0.32568 1.00000
Bi1 Bi 0.02165 0.67966 0.29789 1.00000
Bi2 Bi 0.97835 0.32034 0.70211 1.00000
Bi3 Bi 0.52165 0.32034 0.70211 1.00000
Bi4 Bi 0.47835 0.67966 0.29789 1.00000
Au1 Au 0.91371 0.94858 0.65174 1.00000
Au2 Au 0.90718 0.80996 0.97107 1.00000
Au3 Au 0.90447 0.33103 0.31765 1.00000
Au4 Au 0.08629 0.05142 0.34826 1.00000
Au5 Au 0.09282 0.19004 0.02893 1.00000
Au6 Au 0.09553 0.66897 0.68235 1.00000
Au7 Au 0.41371 0.05142 0.34826 1.00000
Au8 Au 0.40718 0.19004 0.02893 1.00000
Au9 Au 0.40447 0.66897 0.68235 1.00000
Au10 Au 0.58629 0.94858 0.65174 1.00000
Au11 Au 0.59282 0.80996 0.97107 1.00000
Au12 Au 0.59553 0.33103 0.31765 1.00000
