MgV2(CrS4)2
Alexandria ALEXAlex-ID: agm005265200 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D8_17_spg44
V4CrS8 MgS CrS2
2023-05-06 13:39:47.219155
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005265200).
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 agm005265200
data_agm005265200
_cell_length_a 7.00415
_cell_length_b 7.00415
_cell_length_c 7.00415
_cell_angle_alpha 120.55550
_cell_angle_beta 118.74328
_cell_angle_gamma 90.61545
_cell_volume 244.16599
_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 0.13442 0.63442 0.50000 1.00000
V1 V 0.73443 0.45223 0.71779 1.00000
V2 V 0.73443 0.01664 0.28221 1.00000
Cr1 Cr 0.26421 0.00638 0.25783 1.00000
Cr2 Cr 0.74855 0.00638 0.74217 1.00000
S1 S 0.50255 0.76332 0.26077 1.00000
S2 S 0.54711 0.76367 0.78344 1.00000
S3 S 0.98023 0.76367 0.21656 1.00000
S4 S 0.98663 0.76182 0.77520 1.00000
S5 S 0.50495 0.24991 0.25504 1.00000
S6 S 0.50255 0.24178 0.73923 1.00000
S7 S 0.98663 0.21143 0.22480 1.00000
S8 S 0.99487 0.24991 0.74496 1.00000
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