PuZrF7
Alexandria ALEXAlex-ID: agm024172988 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
PuZrF7
2025-01-02 10:32:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024172988).
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 agm024172988
data_agm024172988
_cell_length_a 6.24673
_cell_length_b 5.69437
_cell_length_c 8.40621
_cell_angle_alpha 90.00000
_cell_angle_beta 104.01542
_cell_angle_gamma 90.00000
_cell_volume 290.11729
_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 0.30632 0.29328 0.72873 1.00000
Pu2 Pu 0.69368 0.79328 0.27127 1.00000
Zr1 Zr 0.15481 0.29917 0.18753 1.00000
Zr2 Zr 0.84519 0.79917 0.81247 1.00000
F1 F 0.97421 0.10401 0.98513 1.00000
F2 F 0.02579 0.60401 0.01487 1.00000
F3 F 0.38082 0.57459 0.26130 1.00000
F4 F 0.61918 0.07459 0.73870 1.00000
F5 F 0.42175 0.07345 0.26503 1.00000
F6 F 0.57825 0.57345 0.73497 1.00000
F7 F 0.00824 0.00018 0.28228 1.00000
F8 F 0.99176 0.50018 0.71772 1.00000
F9 F 0.22809 0.32895 0.45314 1.00000
F10 F 0.77191 0.82895 0.54686 1.00000
F11 F 0.34802 0.31368 0.00404 1.00000
F12 F 0.65198 0.81368 0.99596 1.00000
F13 F 0.86649 0.43750 0.24015 1.00000
F14 F 0.13351 0.93750 0.75985 1.00000
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