U2VS6
Alexandria ALEXAlex-ID: agm005771468 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1743_spg14
V5S8 U8VS17 US3
2023-07-09 17:54:04.926191
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005771468).
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 agm005771468
data_agm005771468
_cell_length_a 6.94709
_cell_length_b 5.99311
_cell_length_c 8.57440
_cell_angle_alpha 91.87566
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 356.80081
_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
U1 U 0.61988 0.04794 0.24122 1.00000
U2 U 0.11988 0.45206 0.25878 1.00000
U3 U 0.88012 0.54794 0.74122 1.00000
U4 U 0.38012 0.95206 0.75878 1.00000
V1 V 0.50000 0.50000 0.00000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
S1 S 0.04045 0.14526 0.75933 1.00000
S2 S 0.30970 0.14956 0.43674 1.00000
S3 S 0.32231 0.16767 0.05711 1.00000
S4 S 0.82231 0.33233 0.44289 1.00000
S5 S 0.80970 0.35044 0.06326 1.00000
S6 S 0.54045 0.35474 0.74067 1.00000
S7 S 0.95955 0.85474 0.24067 1.00000
S8 S 0.69030 0.85044 0.56326 1.00000
S9 S 0.67769 0.83233 0.94289 1.00000
S10 S 0.17769 0.66767 0.55711 1.00000
S11 S 0.19030 0.64956 0.93674 1.00000
S12 S 0.45955 0.64526 0.25933 1.00000
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