PuInF7
Alexandria ALEXAlex-ID: agm024121444 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
PuF5 Pu4F15 InF3
2024-12-05 04:27:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024121444).
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 agm024121444
data_agm024121444
_cell_length_a 6.05754
_cell_length_b 5.98704
_cell_length_c 8.30658
_cell_angle_alpha 90.00000
_cell_angle_beta 102.52695
_cell_angle_gamma 90.00000
_cell_volume 294.08096
_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 0.34433 0.24343 0.79947 1.00000
Pu2 Pu 0.65567 0.74343 0.20053 1.00000
In1 In 0.18023 0.24160 0.26375 1.00000
In2 In 0.81977 0.74160 0.73625 1.00000
F1 F 0.48620 0.51317 0.99374 1.00000
F2 F 0.51380 0.01317 0.00626 1.00000
F3 F 0.08692 0.51111 0.74352 1.00000
F4 F 0.91308 0.01111 0.25648 1.00000
F5 F 0.22376 0.24470 0.52106 1.00000
F6 F 0.77624 0.74470 0.47894 1.00000
F7 F 0.08643 0.97660 0.74897 1.00000
F8 F 0.91357 0.47660 0.25103 1.00000
F9 F 0.59390 0.46806 0.71154 1.00000
F10 F 0.40610 0.96806 0.28846 1.00000
F11 F 0.42705 0.49475 0.29265 1.00000
F12 F 0.57295 0.99475 0.70735 1.00000
F13 F 0.13466 0.24466 0.00911 1.00000
F14 F 0.86534 0.74466 0.99089 1.00000
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