ZnGaCl5
Alexandria ALEXAlex-ID: agm005743535 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_258_spg15
GaCl3 ZnCl2
2023-07-14 00:41:23.931853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005743535).
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 agm005743535
data_agm005743535
_cell_length_a 6.94362
_cell_length_b 6.94924
_cell_length_c 8.99168
_cell_angle_alpha 108.85086
_cell_angle_beta 108.83371
_cell_angle_gamma 91.98748
_cell_volume 383.91139
_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
Zn1 Zn 0.50000 0.00000 0.00000 1.00000
Zn2 Zn 0.50000 0.00000 0.50000 1.00000
Ga1 Ga 0.87770 0.62285 0.25019 1.00000
Ga2 Ga 0.12230 0.37715 0.74981 1.00000
Cl1 Cl 0.74955 0.73176 0.03934 1.00000
Cl2 Cl 0.22013 0.67618 0.34541 1.00000
Cl3 Cl 0.43015 0.06895 0.24960 1.00000
Cl4 Cl 0.76883 0.75159 0.46117 1.00000
Cl5 Cl 0.23117 0.24841 0.53883 1.00000
Cl6 Cl 0.82382 0.28081 0.15539 1.00000
Cl7 Cl 0.17618 0.71919 0.84461 1.00000
Cl8 Cl 0.56985 0.93105 0.75040 1.00000
Cl9 Cl 0.77987 0.32382 0.65459 1.00000
Cl10 Cl 0.25045 0.26824 0.96066 1.00000
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