SmTh2ScTe4
Alexandria ALEXAlex-ID: agm004833751 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_343_spg10
ThTe SmTe ScTe
2022-07-20 09:41:44.111804
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004833751).
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 agm004833751
data_agm004833751
_cell_length_a 4.22261
_cell_length_b 7.27926
_cell_length_c 8.14903
_cell_angle_alpha 107.52386
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 238.85636
_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 0.50000 0.50000 0.00000 1.00000
Th1 Th 0.50000 0.00000 0.50000 1.00000
Th2 Th 0.00000 0.50000 0.50000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.50000 0.23268 0.22923 1.00000
Te2 Te 0.50000 0.76732 0.77077 1.00000
Te3 Te 0.00000 0.24395 0.76431 1.00000
Te4 Te 0.00000 0.75605 0.23569 1.00000
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