Mn3Tl(VS4)2
Alexandria ALEXAlex-ID: agm011663069 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_103_spg8
Mn4TlS8 MnS Tl(VS2)3 Mn2TlS4
2024-05-05 20:29:46.816524
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011663069).
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 agm011663069
data_agm011663069
_cell_length_a 8.90979
_cell_length_b 8.90979
_cell_length_c 8.52912
_cell_angle_alpha 76.90684
_cell_angle_beta 76.90684
_cell_angle_gamma 21.42900
_cell_volume 240.70478
_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
Mn1 Mn 0.79195 0.79195 0.83735 1.00000
Mn2 Mn 0.20461 0.20461 0.17035 1.00000
Mn3 Mn 0.15637 0.15637 0.50738 1.00000
Tl1 Tl 0.00909 0.00909 0.99437 1.00000
V1 V 0.85486 0.85486 0.48911 1.00000
V2 V 0.48785 0.48785 0.50207 1.00000
S1 S 0.58654 0.58654 0.66417 1.00000
S2 S 0.41252 0.41252 0.31070 1.00000
S3 S 0.26292 0.26292 0.65233 1.00000
S4 S 0.74117 0.74117 0.34381 1.00000
S5 S 0.66647 0.66647 0.01119 1.00000
S6 S 0.32835 0.32835 0.99782 1.00000
S7 S 0.92676 0.92676 0.68266 1.00000
S8 S 0.07054 0.07054 0.33669 1.00000
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