Pu6BiAs5
Alexandria ALEXAlex-ID: agm003677552 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
PuBi2 Pu4As3 PuAs
2022-04-09 20:11:22.585465
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003677552).
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 agm003677552
data_agm003677552
_cell_length_a 7.27740
_cell_length_b 7.28390
_cell_length_c 7.28577
_cell_angle_alpha 60.00852
_cell_angle_beta 80.35297
_cell_angle_gamma 70.41271
_cell_volume 315.13406
_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 0.73991 0.08684 0.35060 1.00000
Pu2 Pu 0.26009 0.56256 0.35060 1.00000
Pu3 Pu 0.25626 0.26472 0.00000 1.00000
Pu4 Pu 0.74374 0.73528 1.00000 1.00000
Pu5 Pu 0.73991 0.43744 0.64940 1.00000
Pu6 Pu 0.26009 0.91316 0.64940 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
As1 As 0.50000 0.15932 0.68136 1.00000
As2 As 0.00000 0.33249 0.33503 1.00000
As3 As 0.50000 0.50000 0.00000 1.00000
As4 As 1.00000 0.66751 0.66497 1.00000
As5 As 0.50000 0.84068 0.31864 1.00000
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