K2SrPuBr8
Alexandria ALEXAlex-ID: agm004908994 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
K2PuBr6 SrBr2
2023-01-08 20:58:24.154245
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004908994).
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 agm004908994
data_agm004908994
_cell_length_a 7.52737
_cell_length_b 7.15366
_cell_length_c 9.24097
_cell_angle_alpha 89.99334
_cell_angle_beta 90.00272
_cell_angle_gamma 92.65957
_cell_volume 497.07415
_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
K1 K 0.49998 0.49995 0.74724 1.00000
K2 K 0.50002 0.50005 0.25276 1.00000
Sr1 Sr 0.00000 0.00000 0.50000 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.13115 0.77786 0.22100 1.00000
Br2 Br 0.68695 0.78736 0.99994 1.00000
Br3 Br 0.86875 0.22207 0.22095 1.00000
Br4 Br 0.86885 0.22214 0.77900 1.00000
Br5 Br 0.31305 0.21264 0.00006 1.00000
Br6 Br 0.13125 0.77793 0.77905 1.00000
Br7 Br 0.67725 0.75135 0.50002 1.00000
Br8 Br 0.32275 0.24865 0.49998 1.00000
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