Pu4MgBr8
Alexandria ALEXAlex-ID: agm097601335 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_791_spg191
MgBr2 Pu PuBr2
2025-06-16 19:52:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097601335).
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 agm097601335
data_agm097601335
_cell_length_a 8.80702
_cell_length_b 8.80702
_cell_length_c 7.06408
_cell_angle_alpha 90.16872
_cell_angle_beta 89.83128
_cell_angle_gamma 119.71058
_cell_volume 475.88332
_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 0.50000 0.00000 0.00000 1.00000
Pu3 Pu 0.50000 0.50000 0.00000 1.00000
Pu4 Pu 0.00000 0.50000 0.00000 1.00000
Mg1 Mg 0.00000 0.00000 0.50000 1.00000
Br1 Br 0.17254 0.82746 0.22234 1.00000
Br2 Br 0.65628 0.82851 0.22545 1.00000
Br3 Br 0.66658 0.33342 0.23344 1.00000
Br4 Br 0.17149 0.34372 0.22545 1.00000
Br5 Br 0.82851 0.65628 0.77455 1.00000
Br6 Br 0.33342 0.66658 0.76656 1.00000
Br7 Br 0.34372 0.17149 0.77455 1.00000
Br8 Br 0.82746 0.17254 0.77766 1.00000
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