MgVNiS4
Alexandria ALEXAlex-ID: agm005273510 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_9_spg74
V5S8 Ni3S4 Mg(VS2)4 MgS
2023-05-06 17:53:45.184272
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005273510).
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 agm005273510
data_agm005273510
_cell_length_a 7.16903
_cell_length_b 7.16903
_cell_length_c 7.16903
_cell_angle_alpha 122.20644
_cell_angle_beta 120.37082
_cell_angle_gamma 87.78979
_cell_volume 255.16876
_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
Mg1 Mg 0.87294 0.12294 0.75000 1.00000
Mg2 Mg 0.12706 0.87706 0.25000 1.00000
V1 V 0.50000 0.00000 0.00000 1.00000
V2 V 0.50000 0.50000 0.50000 1.00000
Ni1 Ni 0.50000 0.50000 0.00000 1.00000
Ni2 Ni 0.00000 0.50000 0.50000 1.00000
S1 S 0.75015 0.26818 0.48196 1.00000
S2 S 0.26554 0.29880 0.53326 1.00000
S3 S 0.26554 0.73227 0.96674 1.00000
S4 S 0.71378 0.73182 0.98196 1.00000
S5 S 0.73446 0.26773 0.03326 1.00000
S6 S 0.28622 0.26818 0.01804 1.00000
S7 S 0.24985 0.73182 0.51804 1.00000
S8 S 0.73446 0.70120 0.46674 1.00000
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