Ac2VS6
Alexandria ALEXAlex-ID: agm005771448 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_7_spg14
V5S8 VS4 AcS2
2023-07-09 18:15:51.577185
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005771448).
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 agm005771448
data_agm005771448
_cell_length_a 7.63451
_cell_length_b 6.04438
_cell_length_c 9.27924
_cell_angle_alpha 92.20855
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 427.88125
_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
Ac1 Ac 0.60123 0.05610 0.26189 1.00000
Ac2 Ac 0.10123 0.44390 0.23811 1.00000
Ac3 Ac 0.89877 0.55610 0.76189 1.00000
Ac4 Ac 0.39877 0.94390 0.73811 1.00000
V1 V 0.50000 0.50000 0.00000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
S1 S 0.01680 0.06887 0.75095 1.00000
S2 S 0.27608 0.16793 0.46320 1.00000
S3 S 0.33758 0.17145 0.03431 1.00000
S4 S 0.83758 0.32855 0.46569 1.00000
S5 S 0.77608 0.33207 0.03680 1.00000
S6 S 0.51680 0.43113 0.74905 1.00000
S7 S 0.98320 0.93113 0.24905 1.00000
S8 S 0.72392 0.83207 0.53680 1.00000
S9 S 0.66242 0.82855 0.96569 1.00000
S10 S 0.16242 0.67145 0.53431 1.00000
S11 S 0.22392 0.66793 0.96320 1.00000
S12 S 0.48320 0.56887 0.25095 1.00000
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