Ta2MnS6
Alexandria ALEXAlex-ID: agm005757222 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2855_spg12
Ta(MnS3)2 TaS2
2023-07-09 17:04:59.787153
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757222).
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 agm005757222
data_agm005757222
_cell_length_a 3.36773
_cell_length_b 7.63050
_cell_length_c 8.43521
_cell_angle_alpha 114.37251
_cell_angle_beta 101.51493
_cell_angle_gamma 90.00000
_cell_volume 192.64599
_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
Ta1 Ta 0.84987 0.69429 0.69974 1.00000
Ta2 Ta 0.15013 0.30571 0.30026 1.00000
Mn1 Mn 0.50000 0.00000 0.00000 1.00000
S1 S 0.34436 0.91923 0.68871 1.00000
S2 S 0.99588 0.21480 0.99177 1.00000
S3 S 0.67483 0.56096 0.34966 1.00000
S4 S 0.00412 0.78520 0.00823 1.00000
S5 S 0.65564 0.08077 0.31129 1.00000
S6 S 0.32517 0.43904 0.65034 1.00000
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