ZrF4
Alexandria ALEXAlex-ID: agm002148166 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_24_spg2
ZrF4
2023-03-25 15:16:47.129273
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002148166).
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 agm002148166
data_agm002148166
_cell_length_a 5.01165
_cell_length_b 5.46792
_cell_length_c 6.13029
_cell_angle_alpha 108.37095
_cell_angle_beta 119.93704
_cell_angle_gamma 96.51268
_cell_volume 130.45778
_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
Zr1 Zr 0.01789 0.61227 0.02569 1.00000
Zr2 Zr 0.38511 0.08861 0.87684 1.00000
F1 F 0.96051 0.18095 0.73699 1.00000
F2 F 0.44250 0.52016 0.16616 1.00000
F3 F 0.20061 0.85082 0.45088 1.00000
F4 F 0.88804 0.34303 0.16832 1.00000
F5 F 0.51486 0.35811 0.73454 1.00000
F6 F 0.70156 0.85054 0.95037 1.00000
F7 F 0.03587 0.67537 0.71781 1.00000
F8 F 0.36821 0.02533 0.18494 1.00000
Get direct link