Mn3V2(Ni3S4)5
Alexandria ALEXAlex-ID: agm008623906 · Space group: P-42m (#111)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C15D20_0_spg111
VNi3S4 MnNi3S4
2024-11-09 04:27:58.247167
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008623906).
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 agm008623906
data_agm008623906
_cell_length_a 5.18946
_cell_length_b 5.18946
_cell_length_c 26.01551
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 700.61136
_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
Mn1 Mn 0.50000 0.50000 0.30252 1.00000
Mn2 Mn 0.50000 0.50000 0.50000 1.00000
Mn3 Mn 0.50000 0.50000 0.69748 1.00000
V1 V 0.50000 0.50000 0.89808 1.00000
V2 V 0.50000 0.50000 0.10192 1.00000
Ni1 Ni 0.50000 0.50000 0.00000 1.00000
Ni2 Ni 0.50000 0.50000 0.20362 1.00000
Ni3 Ni 0.50000 0.50000 0.40130 1.00000
Ni4 Ni 0.50000 0.50000 0.59870 1.00000
Ni5 Ni 0.50000 0.50000 0.79638 1.00000
Ni6 Ni 0.50000 0.00000 0.89822 1.00000
Ni7 Ni 0.50000 0.00000 0.10178 1.00000
Ni8 Ni 0.50000 0.00000 0.30238 1.00000
Ni9 Ni 0.50000 0.00000 0.50000 1.00000
Ni10 Ni 0.50000 0.00000 0.69762 1.00000
Ni11 Ni 0.00000 0.50000 0.89822 1.00000
Ni12 Ni 0.00000 0.50000 0.10178 1.00000
Ni13 Ni 0.00000 0.50000 0.30238 1.00000
Ni14 Ni 0.00000 0.50000 0.50000 1.00000
Ni15 Ni 0.00000 0.50000 0.69762 1.00000
S1 S 0.25625 0.25625 0.94783 1.00000
S2 S 0.25536 0.25536 0.15126 1.00000
S3 S 0.25942 0.25942 0.35013 1.00000
S4 S 0.25916 0.25916 0.54761 1.00000
S5 S 0.26042 0.26042 0.74540 1.00000
S6 S 0.25625 0.74375 0.05217 1.00000
S7 S 0.26042 0.73958 0.25460 1.00000
S8 S 0.25916 0.74084 0.45239 1.00000
S9 S 0.25942 0.74058 0.64987 1.00000
S10 S 0.25536 0.74464 0.84874 1.00000
S11 S 0.74375 0.25625 0.05217 1.00000
S12 S 0.73958 0.26042 0.25460 1.00000
S13 S 0.74084 0.25916 0.45239 1.00000
S14 S 0.74058 0.25942 0.64987 1.00000
S15 S 0.74464 0.25536 0.84874 1.00000
S16 S 0.74375 0.74375 0.94783 1.00000
S17 S 0.74464 0.74464 0.15126 1.00000
S18 S 0.74058 0.74058 0.35013 1.00000
S19 S 0.74084 0.74084 0.54761 1.00000
S20 S 0.73958 0.73958 0.74540 1.00000
