V2Br3Cl
Alexandria ALEXAlex-ID: agm005691648 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_993_spg12
V7Br16 V7Cl16 V
2023-08-17 07:54:10.272802
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691648).
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 agm005691648
data_agm005691648
_cell_length_a 3.78786
_cell_length_b 8.80967
_cell_length_c 10.36461
_cell_angle_alpha 89.70360
_cell_angle_beta 79.47116
_cell_angle_gamma 77.58548
_cell_volume 331.88077
_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 0.87761 0.36777 0.87701 1.00000
V2 V 0.12239 0.63223 0.12299 1.00000
V3 V 0.62437 0.12052 0.63075 1.00000
V4 V 0.37563 0.87948 0.36925 1.00000
Br1 Br 0.06296 0.06997 0.80411 1.00000
Br2 Br 0.93704 0.93003 0.19589 1.00000
Br3 Br 0.69415 0.66646 0.94523 1.00000
Br4 Br 0.30585 0.33354 0.05477 1.00000
Br5 Br 0.81519 0.82738 0.54225 1.00000
Br6 Br 0.18481 0.17262 0.45775 1.00000
Cl1 Cl 0.44359 0.39539 0.71743 1.00000
Cl2 Cl 0.55641 0.60461 0.28257 1.00000
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