LuZrF7
Alexandria ALEXAlex-ID: agm005260643 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
LuZrF7
2023-05-07 16:59:23.985688
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005260643).
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 agm005260643
data_agm005260643
_cell_length_a 5.76341
_cell_length_b 6.00094
_cell_length_c 8.21474
_cell_angle_alpha 76.50194
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 276.26624
_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
Lu1 Lu 0.70226 0.35246 0.68633 1.00000
Lu2 Lu 0.20226 0.64754 0.31367 1.00000
Zr1 Zr 0.70339 0.17877 0.22643 1.00000
Zr2 Zr 0.20339 0.82123 0.77357 1.00000
F1 F 0.94679 0.50462 0.49782 1.00000
F2 F 0.44679 0.49538 0.50218 1.00000
F3 F 0.44160 0.07983 0.75737 1.00000
F4 F 0.94160 0.92017 0.24263 1.00000
F5 F 0.96326 0.07881 0.75584 1.00000
F6 F 0.46326 0.92119 0.24416 1.00000
F7 F 0.94540 0.58338 0.79152 1.00000
F8 F 0.44540 0.41662 0.20848 1.00000
F9 F 0.70241 0.23261 0.97261 1.00000
F10 F 0.20241 0.76739 0.02739 1.00000
F11 F 0.70279 0.13428 0.47877 1.00000
F12 F 0.20279 0.86572 0.52123 1.00000
F13 F 0.46846 0.59045 0.79032 1.00000
F14 F 0.96846 0.40955 0.20968 1.00000
Get direct link