V2InCl6
Alexandria ALEXAlex-ID: agm005690472 · Space group: P-31m (#162)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_347_spg191
V2InCl6
2023-07-06 19:32:28.607189
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690472).
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 agm005690472
data_agm005690472
_cell_length_a 6.95412
_cell_length_b 6.37922
_cell_length_c 6.37922
_cell_angle_alpha 119.99964
_cell_angle_beta 90.00036
_cell_angle_gamma 90.00037
_cell_volume 245.08071
_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
V1 V 0.50000 0.66667 0.33333 1.00000
V2 V 0.50000 0.33333 0.66667 1.00000
In1 In 0.00000 1.00000 1.00000 1.00000
Cl1 Cl 0.69841 0.62525 0.62525 1.00000
Cl2 Cl 0.30159 0.62525 1.00000 1.00000
Cl3 Cl 0.30159 1.00000 0.62525 1.00000
Cl4 Cl 0.69841 0.37475 0.00000 1.00000
Cl5 Cl 0.30159 0.37475 0.37475 1.00000
Cl6 Cl 0.69841 0.00000 0.37475 1.00000
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