ErPuF7
Alexandria ALEXAlex-ID: agm024105126 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
PuF5 Pu4F15 ErF3
2024-12-18 02:17:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024105126).
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 agm024105126
data_agm024105126
_cell_length_a 6.19775
_cell_length_b 5.94892
_cell_length_c 8.46564
_cell_angle_alpha 90.00000
_cell_angle_beta 103.56753
_cell_angle_gamma 90.00000
_cell_volume 303.41724
_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
Er1 Er 0.64677 0.29748 0.68385 1.00000
Er2 Er 0.35323 0.79748 0.31615 1.00000
Pu1 Pu 0.81822 0.29632 0.22650 1.00000
Pu2 Pu 0.18178 0.79632 0.77350 1.00000
F1 F 0.49738 0.05295 0.49736 1.00000
F2 F 0.50262 0.55295 0.50264 1.00000
F3 F 0.91374 0.55611 0.75516 1.00000
F4 F 0.08626 0.05611 0.24484 1.00000
F5 F 0.92098 0.04579 0.75428 1.00000
F6 F 0.07902 0.54579 0.24572 1.00000
F7 F 0.43243 0.05588 0.79309 1.00000
F8 F 0.56757 0.55588 0.20691 1.00000
F9 F 0.77337 0.29830 0.96857 1.00000
F10 F 0.22663 0.79830 0.03143 1.00000
F11 F 0.86589 0.29944 0.48519 1.00000
F12 F 0.13411 0.79944 0.51481 1.00000
F13 F 0.41727 0.52151 0.79122 1.00000
F14 F 0.58273 0.02151 0.20878 1.00000
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