Cs3PuCl7
Alexandria ALEXAlex-ID: agm005960262 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_201_spg8
Cs2PuCl6 CsCl
2023-08-13 20:57:03.369708
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005960262).
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 agm005960262
data_agm005960262
_cell_length_a 7.11471
_cell_length_b 7.11471
_cell_length_c 9.22205
_cell_angle_alpha 77.37609
_cell_angle_beta 77.37609
_cell_angle_gamma 91.79821
_cell_volume 442.97707
_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
Cs1 Cs 0.68786 0.15415 0.47051 1.00000
Cs2 Cs 0.51106 0.51106 0.91568 1.00000
Cs3 Cs 0.15415 0.68786 0.47051 1.00000
Pu1 Pu 0.01994 0.01994 0.98211 1.00000
Cl1 Cl 0.13670 0.13670 0.20422 1.00000
Cl2 Cl 0.66599 0.03277 0.12528 1.00000
Cl3 Cl 0.02059 0.37446 0.83261 1.00000
Cl4 Cl 0.03277 0.66599 0.12528 1.00000
Cl5 Cl 0.61682 0.61682 0.52913 1.00000
Cl6 Cl 0.37446 0.02059 0.83261 1.00000
Cl7 Cl 0.90465 0.90465 0.76205 1.00000
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