PuMgB14
Alexandria ALEXAlex-ID: agm005754716 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
MgB7 PuB12 PuB4
2023-07-18 13:59:38.990818
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754716).
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 agm005754716
data_agm005754716
_cell_length_a 5.91775
_cell_length_b 7.40940
_cell_length_c 7.40940
_cell_angle_alpha 68.23526
_cell_angle_beta 66.46305
_cell_angle_gamma 66.46305
_cell_volume 264.29912
_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 0.38717 0.11283 1.00000
Pu2 Pu 0.75000 0.61283 0.88717 1.00000
Mg1 Mg 0.50000 0.00000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.50000 1.00000
B1 B 0.66622 0.36202 0.30553 1.00000
B2 B 0.33378 0.63798 0.69447 1.00000
B3 B 0.16622 0.80553 0.86202 1.00000
B4 B 0.83378 0.19447 0.13798 1.00000
B5 B 0.13229 0.24130 0.49412 1.00000
B6 B 0.86771 0.75870 0.50588 1.00000
B7 B 0.63229 0.99412 0.74130 1.00000
B8 B 0.36771 0.00588 0.25870 1.00000
B9 B 0.08251 0.08800 0.74698 1.00000
B10 B 0.91749 0.91200 0.25302 1.00000
B11 B 0.58251 0.24698 0.58800 1.00000
B12 B 0.41749 0.75302 0.41200 1.00000
B13 B 0.71915 0.60013 0.27948 1.00000
B14 B 0.59877 0.39987 0.72052 1.00000
B15 B 0.21915 0.77948 0.10013 1.00000
B16 B 0.09877 0.22052 0.89987 1.00000
B17 B 0.28085 0.39987 0.72052 1.00000
B18 B 0.40123 0.60013 0.27948 1.00000
B19 B 0.78085 0.22052 0.89987 1.00000
B20 B 0.90123 0.77948 0.10013 1.00000
B21 B 0.32397 0.96958 0.87773 1.00000
B22 B 0.17127 0.03042 0.12227 1.00000
B23 B 0.82397 0.37773 0.46958 1.00000
B24 B 0.67127 0.62227 0.53042 1.00000
B25 B 0.67603 0.03042 0.12227 1.00000
B26 B 0.82873 0.96958 0.87773 1.00000
B27 B 0.17603 0.62227 0.53042 1.00000
B28 B 0.32873 0.37773 0.46958 1.00000
