Sc3TeAs2
Alexandria ALEXAlex-ID: agm034140383 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Sc3TeAs2
2025-04-15 09:07:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034140383).
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 agm034140383
data_agm034140383
_cell_length_a 13.16323
_cell_length_b 12.54962
_cell_length_c 6.89009
_cell_angle_alpha 79.43914
_cell_angle_beta 69.59229
_cell_angle_gamma 30.96857
_cell_volume 532.88551
_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
Sc1 Sc 0.17323 0.66990 0.30436 1.00000
Sc2 Sc 0.66990 0.17323 0.85250 1.00000
Sc3 Sc 0.07677 0.58010 0.94564 1.00000
Sc4 Sc 0.58010 0.07677 0.39750 1.00000
Sc5 Sc 0.02375 0.47625 0.47625 1.00000
Sc6 Sc 0.47625 0.02375 0.02375 1.00000
Sc7 Sc 0.39750 0.94564 0.58010 1.00000
Sc8 Sc 0.94564 0.39750 0.07677 1.00000
Sc9 Sc 0.85250 0.30436 0.66990 1.00000
Sc10 Sc 0.30436 0.85250 0.17323 1.00000
Sc11 Sc 0.22625 0.77375 0.77375 1.00000
Sc12 Sc 0.77375 0.22625 0.22625 1.00000
Te1 Te 0.41664 0.41664 0.58336 1.00000
Te2 Te 0.83336 0.83336 0.66664 1.00000
Te3 Te 0.66664 0.66664 0.83336 1.00000
Te4 Te 0.58336 0.58336 0.41664 1.00000
As1 As 0.50276 0.50276 0.99724 1.00000
As2 As 0.91416 0.91416 0.08584 1.00000
As3 As 0.33584 0.33584 0.16416 1.00000
As4 As 0.74724 0.74724 0.25276 1.00000
As5 As 0.25276 0.25276 0.74724 1.00000
As6 As 0.16416 0.16416 0.33584 1.00000
As7 As 0.08584 0.08584 0.91416 1.00000
As8 As 0.99724 0.99724 0.50276 1.00000
