PuCrB14
Alexandria ALEXAlex-ID: agm005755616 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
PuB12 Pu(CrB3)2 CrB4
2023-07-18 14:02:39.180661
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755616).
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 agm005755616
data_agm005755616
_cell_length_a 5.84403
_cell_length_b 7.35585
_cell_length_c 7.35585
_cell_angle_alpha 68.15339
_cell_angle_beta 66.59445
_cell_angle_gamma 66.59445
_cell_volume 257.54708
_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 0.38161 0.11839 1.00000
Pu2 Pu 0.75000 0.61839 0.88161 1.00000
Cr1 Cr 0.50000 0.00000 0.50000 1.00000
Cr2 Cr 0.00000 0.00000 0.50000 1.00000
B1 B 0.66686 0.36504 0.30124 1.00000
B2 B 0.33314 0.63496 0.69876 1.00000
B3 B 0.16686 0.80124 0.86504 1.00000
B4 B 0.83314 0.19876 0.13496 1.00000
B5 B 0.13043 0.23899 0.50015 1.00000
B6 B 0.86957 0.76101 0.49985 1.00000
B7 B 0.63043 0.00015 0.73899 1.00000
B8 B 0.36957 0.99985 0.26101 1.00000
B9 B 0.08492 0.08451 0.74566 1.00000
B10 B 0.91508 0.91549 0.25434 1.00000
B11 B 0.58492 0.24566 0.58451 1.00000
B12 B 0.41508 0.75434 0.41549 1.00000
B13 B 0.72192 0.59960 0.27760 1.00000
B14 B 0.59912 0.40040 0.72240 1.00000
B15 B 0.22192 0.77760 0.09960 1.00000
B16 B 0.09912 0.22240 0.90040 1.00000
B17 B 0.27808 0.40040 0.72240 1.00000
B18 B 0.40088 0.59960 0.27760 1.00000
B19 B 0.77808 0.22240 0.90040 1.00000
B20 B 0.90088 0.77760 0.09960 1.00000
B21 B 0.32665 0.96927 0.87362 1.00000
B22 B 0.16954 0.03073 0.12638 1.00000
B23 B 0.82665 0.37362 0.46927 1.00000
B24 B 0.66954 0.62638 0.53073 1.00000
B25 B 0.67335 0.03073 0.12638 1.00000
B26 B 0.83046 0.96927 0.87362 1.00000
B27 B 0.17335 0.62638 0.53073 1.00000
B28 B 0.33046 0.37362 0.46927 1.00000
