MgVCr3S8
Alexandria ALEXAlex-ID: agm005240290 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D8_8_spg160
V4CrS8 Mg(CrS2)2 MgS CrS2
2023-05-06 13:37:18.355051
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005240290).
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 agm005240290
data_agm005240290
_cell_length_a 6.93828
_cell_length_b 6.93828
_cell_length_c 6.93828
_cell_angle_alpha 61.50879
_cell_angle_beta 61.50879
_cell_angle_gamma 61.50879
_cell_volume 244.17750
_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 0.88278 0.88278 0.88278 1.00000
V1 V 0.47751 0.47751 0.47751 1.00000
Cr1 Cr 0.49690 0.49690 0.01398 1.00000
Cr2 Cr 0.01398 0.49690 0.49690 1.00000
Cr3 Cr 0.49690 0.01398 0.49690 1.00000
S1 S 0.25801 0.25801 0.25801 1.00000
S2 S 0.73177 0.73177 0.29709 1.00000
S3 S 0.73177 0.29709 0.73177 1.00000
S4 S 0.29709 0.73177 0.73177 1.00000
S5 S 0.25309 0.74054 0.25309 1.00000
S6 S 0.74054 0.25309 0.25309 1.00000
S7 S 0.74078 0.74078 0.74078 1.00000
S8 S 0.25309 0.25309 0.74054 1.00000
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