Tm(Sc2S)4
Alexandria ALEXAlex-ID: agm006048890 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1_spg8
Tm4ScS5 Sc6S5 Sc
2023-08-30 21:00:03.215473
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006048890).
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 agm006048890
data_agm006048890
_cell_length_a 3.55127
_cell_length_b 8.91934
_cell_length_c 9.31883
_cell_angle_alpha 81.19488
_cell_angle_beta 79.01556
_cell_angle_gamma 78.51703
_cell_volume 281.92456
_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
Tm1 Tm 0.51568 0.00173 0.96692 1.00000
Sc1 Sc 0.14162 0.33747 0.37929 1.00000
Sc2 Sc 0.55443 0.67043 0.22071 1.00000
Sc3 Sc 0.47700 0.33296 0.71304 1.00000
Sc4 Sc 0.88990 0.66584 0.55436 1.00000
Sc5 Sc 0.85097 0.00694 0.29111 1.00000
Sc6 Sc 0.21165 0.68201 0.89469 1.00000
Sc7 Sc 0.18041 0.99647 0.64270 1.00000
Sc8 Sc 0.81978 0.32141 0.03903 1.00000
S1 S 0.36817 0.83690 0.42676 1.00000
S2 S 0.84586 0.50776 0.80052 1.00000
S3 S 0.18558 0.49566 0.13318 1.00000
S4 S 0.66325 0.16648 0.50703 1.00000
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