Pu(SBr2)2
Alexandria ALEXAlex-ID: agm005995576 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_3421_spg2
S5Br2 PuBr3 PuBr4
2023-10-16 09:40:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995576).
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
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# CIF generated by HEAS from Alexandria entry agm005995576
data_agm005995576
_cell_length_a 4.06403
_cell_length_b 7.63026
_cell_length_c 10.23741
_cell_angle_alpha 98.29315
_cell_angle_beta 116.68544
_cell_angle_gamma 77.71544
_cell_volume 276.71832
_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
S1 S 0.20489 0.42729 0.48564 1.00000
S2 S 0.79511 0.57271 0.51436 1.00000
Br1 Br 0.35149 0.92349 0.28354 1.00000
Br2 Br 0.64851 0.07651 0.71646 1.00000
Br3 Br 0.53880 0.73846 0.94158 1.00000
Br4 Br 0.46120 0.26154 0.05842 1.00000
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