V2Cl3F
Alexandria ALEXAlex-ID: agm005688314 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1134_spg12
V2Cl3F
2023-08-17 21:55:22.874260
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688314).
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 agm005688314
data_agm005688314
_cell_length_a 3.60739
_cell_length_b 8.70429
_cell_length_c 9.96754
_cell_angle_alpha 93.99243
_cell_angle_beta 79.57450
_cell_angle_gamma 78.04057
_cell_volume 299.25810
_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 0.88201 0.34712 0.88886 1.00000
V2 V 0.11799 0.65288 0.11114 1.00000
V3 V 0.62472 0.10452 0.64604 1.00000
V4 V 0.37528 0.89548 0.35396 1.00000
Cl1 Cl 0.06734 0.05095 0.81437 1.00000
Cl2 Cl 0.93266 0.94905 0.18563 1.00000
Cl3 Cl 0.71292 0.64574 0.92841 1.00000
Cl4 Cl 0.28708 0.35426 0.07159 1.00000
Cl5 Cl 0.82741 0.82732 0.51787 1.00000
Cl6 Cl 0.17259 0.17268 0.48213 1.00000
F1 F 0.45419 0.33219 0.75943 1.00000
F2 F 0.54581 0.66781 0.24057 1.00000
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