HfGa2(Cl2F)2
Alexandria ALEXAlex-ID: agm004565660 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_242_spg12
Hf(GaCl3)2 GaCl2 HfF4 Ga
2022-06-19 13:45:26.460186
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004565660).
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 agm004565660
data_agm004565660
_cell_length_a 5.67534
_cell_length_b 7.24428
_cell_length_c 7.24428
_cell_angle_alpha 62.10127
_cell_angle_beta 79.46308
_cell_angle_gamma 79.46308
_cell_volume 257.15658
_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
Hf1 Hf 0.50000 0.00000 0.00000 1.00000
Ga1 Ga 0.16978 0.75739 0.75739 1.00000
Ga2 Ga 0.83022 0.24261 0.24261 1.00000
Cl1 Cl 0.32688 0.66561 0.12934 1.00000
Cl2 Cl 0.67312 0.87066 0.33439 1.00000
Cl3 Cl 0.67312 0.33439 0.87066 1.00000
Cl4 Cl 0.32688 0.12934 0.66561 1.00000
F1 F 0.19972 0.11776 0.11776 1.00000
F2 F 0.80028 0.88224 0.88224 1.00000
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