Y3MnS20
Alexandria ALEXAlex-ID: agm008243178 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C20_6_spg1
YS2 MnS15 Y2S3
2024-03-11 11:27:57.559587
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008243178).
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 agm008243178
data_agm008243178
_cell_length_a 3.83643
_cell_length_b 7.64951
_cell_length_c 23.65640
_cell_angle_alpha 88.29759
_cell_angle_beta 78.10365
_cell_angle_gamma 75.73977
_cell_volume 658.23452
_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
Y1 Y 0.14370 0.65776 0.49308 1.00000
Y2 Y 0.26000 0.27229 0.25021 1.00000
Y3 Y 0.43009 0.36641 0.75449 1.00000
Mn1 Mn 0.49697 0.67316 0.98963 1.00000
S1 S 0.09741 0.89709 0.04846 1.00000
S2 S 0.47650 0.88026 0.53657 1.00000
S3 S 0.92967 0.05785 0.20106 1.00000
S4 S 0.09174 0.14840 0.71124 1.00000
S5 S 0.95311 0.86887 0.97241 1.00000
S6 S 0.60219 0.86496 0.44594 1.00000
S7 S 0.81192 0.05598 0.29185 1.00000
S8 S 0.97150 0.15781 0.80228 1.00000
S9 S 0.64398 0.55636 0.23616 1.00000
S10 S 0.78031 0.65323 0.76217 1.00000
S11 S 0.02153 0.47093 0.01853 1.00000
S12 S 0.76068 0.37110 0.50702 1.00000
S13 S 0.92092 0.38300 0.10063 1.00000
S14 S 0.67294 0.31034 0.59300 1.00000
S15 S 0.72833 0.62530 0.15139 1.00000
S16 S 0.49452 0.53083 0.64434 1.00000
S17 S 0.68872 0.53527 0.90040 1.00000
S18 S 0.05147 0.36928 0.36804 1.00000
S19 S 0.35263 0.54414 0.37549 1.00000
S20 S 0.61918 0.74936 0.84563 1.00000
