PuAlB14
Alexandria ALEXAlex-ID: agm005755475 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
AlB2 PuB12
2023-07-18 13:45:35.081228
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755475).
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 agm005755475
data_agm005755475
_cell_length_a 5.87538
_cell_length_b 7.34778
_cell_length_c 7.34778
_cell_angle_alpha 68.87633
_cell_angle_beta 66.43391
_cell_angle_gamma 66.43393
_cell_volume 258.80309
_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 0.39287 0.10713 1.00000
Pu2 Pu 0.75000 0.60713 0.89287 1.00000
Al1 Al 0.50000 0.00000 0.50000 1.00000
Al2 Al 0.00000 0.00000 0.50000 1.00000
B1 B 0.66686 0.36857 0.29771 1.00000
B2 B 0.33314 0.63143 0.70229 1.00000
B3 B 0.16686 0.79771 0.86857 1.00000
B4 B 0.83314 0.20229 0.13143 1.00000
B5 B 0.13873 0.23105 0.49149 1.00000
B6 B 0.86127 0.76895 0.50851 1.00000
B7 B 0.63873 0.99149 0.73105 1.00000
B8 B 0.36127 0.00851 0.26895 1.00000
B9 B 0.08766 0.07847 0.74620 1.00000
B10 B 0.91234 0.92153 0.25380 1.00000
B11 B 0.58766 0.24620 0.57847 1.00000
B12 B 0.41234 0.75380 0.42153 1.00000
B13 B 0.72261 0.60153 0.27916 1.00000
B14 B 0.60331 0.39847 0.72084 1.00000
B15 B 0.22261 0.77916 0.10153 1.00000
B16 B 0.10331 0.22084 0.89847 1.00000
B17 B 0.27739 0.39847 0.72084 1.00000
B18 B 0.39669 0.60153 0.27916 1.00000
B19 B 0.77739 0.22084 0.89847 1.00000
B20 B 0.89669 0.77916 0.10153 1.00000
B21 B 0.32728 0.96865 0.87433 1.00000
B22 B 0.17026 0.03135 0.12567 1.00000
B23 B 0.82728 0.37433 0.46865 1.00000
B24 B 0.67026 0.62567 0.53135 1.00000
B25 B 0.67272 0.03135 0.12567 1.00000
B26 B 0.82974 0.96865 0.87433 1.00000
B27 B 0.17272 0.62567 0.53135 1.00000
B28 B 0.32974 0.37433 0.46865 1.00000
