Pu4Cl3F7
Alexandria ALEXAlex-ID: agm005697257 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_42_spg12
Pu2ClF4 Pu2Cl5
2023-07-01 19:29:56.447783
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697257).
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 agm005697257
data_agm005697257
_cell_length_a 4.03697
_cell_length_b 8.34647
_cell_length_c 9.86312
_cell_angle_alpha 71.73448
_cell_angle_beta 78.19101
_cell_angle_gamma 76.00502
_cell_volume 303.21091
_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 0.77449 0.79140 0.65962 1.00000
Pu2 Pu 0.22551 0.20860 0.34038 1.00000
Pu3 Pu 0.98171 0.81403 0.22256 1.00000
Pu4 Pu 0.01829 0.18597 0.77744 1.00000
Cl1 Cl 0.23878 0.67293 0.84950 1.00000
Cl2 Cl 0.76122 0.32707 0.15050 1.00000
Cl3 Cl 0.00000 0.50000 0.50000 1.00000
F1 F 0.44151 0.32247 0.79450 1.00000
F2 F 0.18785 0.03819 0.58611 1.00000
F3 F 0.60844 0.01086 0.77225 1.00000
F4 F 0.55848 0.67753 0.20550 1.00000
F5 F 0.39156 0.98914 0.22775 1.00000
F6 F 0.00000 0.00000 0.00000 1.00000
F7 F 0.81215 0.96181 0.41389 1.00000
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