PuZrF7
Alexandria ALEXAlex-ID: agm024243501 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
PuZrF7
2024-12-18 03:05:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024243501).
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 agm024243501
data_agm024243501
_cell_length_a 6.26099
_cell_length_b 6.01169
_cell_length_c 8.54855
_cell_angle_alpha 90.00000
_cell_angle_beta 102.58119
_cell_angle_gamma 90.00000
_cell_volume 314.03364
_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 0.15635 0.30049 0.18533 1.00000
Pu2 Pu 0.84365 0.80049 0.81467 1.00000
Zr1 Zr 0.31246 0.29303 0.72148 1.00000
Zr2 Zr 0.68754 0.79303 0.27852 1.00000
F1 F 0.95639 0.09736 0.98060 1.00000
F2 F 0.04361 0.59736 0.01940 1.00000
F3 F 0.44688 0.55800 0.26677 1.00000
F4 F 0.55312 0.05800 0.73323 1.00000
F5 F 0.43887 0.02250 0.25650 1.00000
F6 F 0.56113 0.52250 0.74350 1.00000
F7 F 0.91970 0.03393 0.28969 1.00000
F8 F 0.08030 0.53393 0.71031 1.00000
F9 F 0.26703 0.29756 0.47890 1.00000
F10 F 0.73297 0.79756 0.52110 1.00000
F11 F 0.35813 0.28486 0.96628 1.00000
F12 F 0.64187 0.78486 0.03372 1.00000
F13 F 0.90491 0.53565 0.29325 1.00000
F14 F 0.09509 0.03565 0.70675 1.00000
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