V2BiS4
Alexandria ALEXAlex-ID: agm096014499 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_158_spg12
V2S3 Bi2S3 Bi
2025-04-11 13:50:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096014499).
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 agm096014499
data_agm096014499
_cell_length_a 3.26521
_cell_length_b 5.82681
_cell_length_c 7.62266
_cell_angle_alpha 82.92534
_cell_angle_beta 77.76419
_cell_angle_gamma 89.68298
_cell_volume 140.62175
_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 0.02503 0.93904 0.00859 1.00000
V2 V 0.53115 0.54499 0.99403 1.00000
Bi1 Bi 0.82606 0.05761 0.50043 1.00000
S1 S 0.95242 0.29704 0.15879 1.00000
S2 S 0.42437 0.78350 0.21674 1.00000
S3 S 0.60996 0.18547 0.83582 1.00000
S4 S 0.13100 0.69235 0.78559 1.00000
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