PuPtF7
Alexandria ALEXAlex-ID: agm024191375 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
PuF5 PtF4 Pt
2024-12-05 04:29:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024191375).
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 agm024191375
data_agm024191375
_cell_length_a 6.04691
_cell_length_b 5.88231
_cell_length_c 8.30725
_cell_angle_alpha 90.00000
_cell_angle_beta 101.97921
_cell_angle_gamma 90.00000
_cell_volume 289.05238
_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 0.33975 0.75000 0.80359 1.00000
Pu2 Pu 0.66025 0.25000 0.19641 1.00000
Pt1 Pt 0.81348 0.25000 0.72832 1.00000
Pt2 Pt 0.18652 0.75000 0.27168 1.00000
F1 F 0.57454 0.00159 0.70128 1.00000
F2 F 0.42546 0.99841 0.29872 1.00000
F3 F 0.42546 0.50159 0.29872 1.00000
F4 F 0.57454 0.49841 0.70128 1.00000
F5 F 0.06028 0.48765 0.74609 1.00000
F6 F 0.93972 0.51235 0.25391 1.00000
F7 F 0.93972 0.98765 0.25391 1.00000
F8 F 0.06028 0.01235 0.74609 1.00000
F9 F 0.77986 0.25000 0.48337 1.00000
F10 F 0.22014 0.75000 0.51663 1.00000
F11 F 0.86607 0.25000 0.97443 1.00000
F12 F 0.13393 0.75000 0.02557 1.00000
F13 F 0.50000 0.50000 0.00000 1.00000
F14 F 0.50000 0.00000 0.00000 1.00000
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