V(I3Cl4)2
Alexandria ALEXAlex-ID: agm072501736 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_1285_spg1
ICl VCl4 I
2024-10-11 07:45:17.405935
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072501736).
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 agm072501736
data_agm072501736
_cell_length_a 5.28159
_cell_length_b 8.93979
_cell_length_c 16.74877
_cell_angle_alpha 98.85139
_cell_angle_beta 61.87088
_cell_angle_gamma 98.05572
_cell_volume 687.02846
_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 0.81203 0.00111 0.99894 1.00000
I1 I 0.80266 0.34056 0.62127 1.00000
I2 I 0.44729 0.99059 0.39732 1.00000
I3 I 0.19073 0.57268 0.23917 1.00000
I4 I 0.38587 0.65921 0.38006 1.00000
I5 I 0.73806 0.00904 0.60410 1.00000
I6 I 0.99967 0.42564 0.76188 1.00000
Cl1 Cl 0.56694 0.19258 0.04043 1.00000
Cl2 Cl 0.86214 0.94982 0.11035 1.00000
Cl3 Cl 0.03836 0.49863 0.11915 1.00000
Cl4 Cl 0.69032 0.72722 0.58125 1.00000
Cl5 Cl 0.59788 0.81048 0.95766 1.00000
Cl6 Cl 0.15523 0.49792 0.88127 1.00000
Cl7 Cl 0.49368 0.27258 0.41989 1.00000
Cl8 Cl 0.21915 0.05195 0.88724 1.00000
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