Pu(BC3)4
Alexandria ALEXAlex-ID: agm071336766 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_286_spg141
PuB4 C
2024-08-05 11:33:40.230519
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071336766).
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 agm071336766
data_agm071336766
_cell_length_a 10.01206
_cell_length_b 10.01206
_cell_length_c 10.01206
_cell_angle_alpha 149.72367
_cell_angle_beta 149.72367
_cell_angle_gamma 43.34717
_cell_volume 254.42494
_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 0.00000 1.00000
Pu2 Pu 0.75000 0.25000 0.50000 1.00000
B1 B 0.87500 0.42356 0.04856 1.00000
B2 B 0.87500 0.82644 0.45144 1.00000
B3 B 0.37500 0.82644 0.95144 1.00000
B4 B 0.37500 0.42356 0.54856 1.00000
B5 B 0.57644 0.12500 0.95144 1.00000
B6 B 0.17356 0.12500 0.54856 1.00000
B7 B 0.17356 0.62500 0.04856 1.00000
B8 B 0.57644 0.62500 0.45144 1.00000
C1 C 0.50382 0.29067 0.78685 1.00000
C2 C 0.24618 0.95933 0.71315 1.00000
C3 C 0.50382 0.71697 0.21315 1.00000
C4 C 0.24618 0.53303 0.28685 1.00000
C5 C 0.46697 0.75382 0.71315 1.00000
C6 C 0.28303 0.49618 0.78685 1.00000
C7 C 0.04067 0.75382 0.28685 1.00000
C8 C 0.70933 0.49618 0.21315 1.00000
C9 C 0.43747 0.07402 0.63655 1.00000
C10 C 0.31253 0.17598 0.86345 1.00000
C11 C 0.43747 0.80092 0.36345 1.00000
C12 C 0.31253 0.44908 0.13655 1.00000
C13 C 0.55092 0.68747 0.86345 1.00000
C14 C 0.19908 0.56253 0.63655 1.00000
C15 C 0.82402 0.68747 0.13655 1.00000
C16 C 0.92598 0.56253 0.36345 1.00000
C17 C 0.58071 0.23561 0.65490 1.00000
C18 C 0.16929 0.01439 0.84510 1.00000
C19 C 0.58071 0.92581 0.34510 1.00000
C20 C 0.16929 0.32419 0.15490 1.00000
C21 C 0.67581 0.83071 0.84510 1.00000
C22 C 0.07419 0.41929 0.65490 1.00000
C23 C 0.98561 0.83071 0.15490 1.00000
C24 C 0.76439 0.41929 0.34510 1.00000
