Pu4Bi12Pb
Alexandria ALEXAlex-ID: agm006019701 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_32_spg229
PuBi2 Pb Bi
2023-08-08 00:06:33.065756
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019701).
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 agm006019701
data_agm006019701
_cell_length_a 8.25396
_cell_length_b 8.25398
_cell_length_c 10.74282
_cell_angle_alpha 108.65477
_cell_angle_beta 108.65402
_cell_angle_gamma 112.43772
_cell_volume 553.33839
_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 0.00000 0.00000 0.50000 1.00000
Pu2 Pu 0.50000 0.00000 0.00000 1.00000
Pu3 Pu 0.50000 0.50000 0.50000 1.00000
Pu4 Pu 0.00000 0.50000 0.00000 1.00000
Bi1 Bi 0.98591 0.24481 0.28843 1.00000
Bi2 Bi 0.01409 0.75519 0.71157 1.00000
Bi3 Bi 0.71812 0.71812 0.07982 1.00000
Bi4 Bi 0.28188 0.28188 0.92018 1.00000
Bi5 Bi 0.24480 0.98591 0.28842 1.00000
Bi6 Bi 0.75520 0.01409 0.71158 1.00000
Bi7 Bi 0.52842 0.27843 0.72564 1.00000
Bi8 Bi 0.47158 0.72157 0.27436 1.00000
Bi9 Bi 0.75129 0.24871 0.50001 1.00000
Bi10 Bi 0.24871 0.75129 0.49999 1.00000
Bi11 Bi 0.72157 0.47158 0.27435 1.00000
Bi12 Bi 0.27843 0.52842 0.72565 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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