TmSc3Te
Alexandria ALEXAlex-ID: agm005779000 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4879_spg12
TmSc2Te Sc
2023-07-05 17:10:20.064707
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779000).
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 agm005779000
data_agm005779000
_cell_length_a 5.16456
_cell_length_b 6.08411
_cell_length_c 9.82395
_cell_angle_alpha 122.68157
_cell_angle_beta 105.23957
_cell_angle_gamma 90.00000
_cell_volume 246.82089
_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 0.58443 0.28599 0.16887 1.00000
Tm2 Tm 0.41557 0.71401 0.83113 1.00000
Sc1 Sc 0.96905 0.19489 0.93810 1.00000
Sc2 Sc 0.03095 0.80511 0.06190 1.00000
Sc3 Sc 0.36174 0.10717 0.72348 1.00000
Sc4 Sc 0.63826 0.89283 0.27652 1.00000
Sc5 Sc 0.21422 0.28757 0.42845 1.00000
Sc6 Sc 0.78578 0.71243 0.57155 1.00000
Te1 Te 0.83237 0.30987 0.66474 1.00000
Te2 Te 0.16763 0.69013 0.33526 1.00000
Get direct link