Na4ScBi3Te8
Alexandria ALEXAlex-ID: agm048690072 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
NaBiTe2 NaScTe2
2024-10-28 13:33:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048690072).
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 agm048690072
data_agm048690072
_cell_length_a 9.17935
_cell_length_b 9.17935
_cell_length_c 9.17935
_cell_angle_alpha 58.06509
_cell_angle_beta 58.06509
_cell_angle_gamma 58.06509
_cell_volume 522.64928
_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
Na1 Na 0.50000 0.50000 0.50000 1.00000
Na2 Na 0.00000 0.00000 0.50000 1.00000
Na3 Na 0.50000 0.00000 0.00000 1.00000
Na4 Na 0.00000 0.50000 0.00000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.00000 0.50000 0.50000 1.00000
Bi2 Bi 0.50000 0.00000 0.50000 1.00000
Bi3 Bi 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.76544 0.24166 0.76544 1.00000
Te2 Te 0.24166 0.76544 0.76544 1.00000
Te3 Te 0.74680 0.74680 0.74680 1.00000
Te4 Te 0.76544 0.76544 0.24166 1.00000
Te5 Te 0.23456 0.23456 0.75834 1.00000
Te6 Te 0.25320 0.25320 0.25320 1.00000
Te7 Te 0.75834 0.23456 0.23456 1.00000
Te8 Te 0.23456 0.75834 0.23456 1.00000
Get direct link