Sm3Mg2VS8
Alexandria ALEXAlex-ID: agm005261029 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_187_spg160
Sm2S3 V2S3 MgS
2023-05-06 16:59:08.514099
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005261029).
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 agm005261029
data_agm005261029
_cell_length_a 7.79148
_cell_length_b 7.79148
_cell_length_c 7.79148
_cell_angle_alpha 60.99903
_cell_angle_beta 60.99903
_cell_angle_gamma 60.99903
_cell_volume 341.98733
_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
Sm1 Sm 0.50000 0.00000 0.50000 1.00000
Sm2 Sm 0.50000 0.50000 0.00000 1.00000
Sm3 Sm 0.00000 0.50000 0.50000 1.00000
Mg1 Mg 0.87498 0.87498 0.87498 1.00000
Mg2 Mg 0.12502 0.12502 0.12502 1.00000
V1 V 0.50000 0.50000 0.50000 1.00000
S1 S 0.72959 0.26773 0.72959 1.00000
S2 S 0.27041 0.27041 0.73227 1.00000
S3 S 0.25294 0.25294 0.25294 1.00000
S4 S 0.73227 0.27041 0.27041 1.00000
S5 S 0.74706 0.74706 0.74706 1.00000
S6 S 0.26773 0.72959 0.72959 1.00000
S7 S 0.27041 0.73227 0.27041 1.00000
S8 S 0.72959 0.72959 0.26773 1.00000
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