VINCl3
Alexandria ALEXAlex-ID: agm005291413 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_1333_spg2
VCl3 IN4 I
2024-10-06 11:18:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005291413).
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
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# CIF generated by HEAS from Alexandria entry agm005291413
data_agm005291413
_cell_length_a 7.40912
_cell_length_b 7.39555
_cell_length_c 8.31100
_cell_angle_alpha 94.69873
_cell_angle_beta 80.20681
_cell_angle_gamma 118.57901
_cell_volume 394.08348
_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 0.28240 0.38696 0.17706 1.00000
V2 V 0.71760 0.61304 0.82294 1.00000
I1 I 0.28575 0.93377 0.30854 1.00000
I2 I 0.71425 0.06623 0.69146 1.00000
N1 N 0.29311 0.18877 0.23775 1.00000
N2 N 0.70689 0.81123 0.76225 1.00000
Cl1 Cl 0.04396 0.72612 0.84667 1.00000
Cl2 Cl 0.28668 0.56477 0.41286 1.00000
Cl3 Cl 0.95604 0.27388 0.15333 1.00000
Cl4 Cl 0.35515 0.35740 0.88547 1.00000
Cl5 Cl 0.71332 0.43523 0.58714 1.00000
Cl6 Cl 0.64485 0.64260 0.11453 1.00000
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