ErGa2F8
Alexandria ALEXAlex-ID: agm005997061 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_139_spg164
ErGaF6 GaF3 Ga
2023-10-15 17:20:06.922256
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997061).
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 agm005997061
data_agm005997061
_cell_length_a 4.05827
_cell_length_b 6.66628
_cell_length_c 6.66564
_cell_angle_alpha 120.00608
_cell_angle_beta 89.99990
_cell_angle_gamma 90.00196
_cell_volume 156.16045
_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
F1 F 0.24384 0.66662 0.33323 1.00000
F2 F 0.75616 0.33338 0.66673 1.00000
F3 F 0.74166 0.83353 0.16488 1.00000
F4 F 0.25834 0.16489 0.33140 1.00000
F5 F 0.25837 0.66865 0.83349 1.00000
F6 F 0.25834 0.16648 0.83510 1.00000
F7 F 0.74167 0.83510 0.66858 1.00000
F8 F 0.74163 0.33135 0.16651 1.00000
Ga1 Ga 0.26097 0.33336 0.66671 1.00000
Ga2 Ga 0.73903 0.66664 0.33327 1.00000
Er1 Er 0.00000 0.00000 0.99999 1.00000
Get direct link