SmSc4Tl
Alexandria ALEXAlex-ID: agm003746078 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1209_spg36
SmScTl Sc
2022-04-18 23:59:05.609655
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003746078).
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 agm003746078
data_agm003746078
_cell_length_a 5.14379
_cell_length_b 6.41701
_cell_length_c 10.72507
_cell_angle_alpha 90.00000
_cell_angle_beta 103.87485
_cell_angle_gamma 90.00000
_cell_volume 343.68076
_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
Sm1 Sm 0.86376 0.73277 0.72753 1.00000
Sm2 Sm 0.13624 0.23277 0.27247 1.00000
Sc1 Sc 0.85202 0.23473 0.70405 1.00000
Sc2 Sc 0.14798 0.73473 0.29595 1.00000
Sc3 Sc 0.44126 0.01736 0.88251 1.00000
Sc4 Sc 0.55874 0.51736 0.11749 1.00000
Sc5 Sc 0.70823 0.48929 0.41646 1.00000
Sc6 Sc 0.29177 0.98929 0.58354 1.00000
Sc7 Sc 0.72048 0.98454 0.44095 1.00000
Sc8 Sc 0.27952 0.48454 0.55905 1.00000
Tl1 Tl 0.57978 0.97471 0.15955 1.00000
Tl2 Tl 0.42022 0.47471 0.84045 1.00000
Get direct link