Na9Ce(SiTe3)4
Alexandria ALEXAlex-ID: agm021336697 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C9D12_0_spg5
Na2CeTe3 Na4Si2Te5 CeTe2 Si
2025-01-22 20:37:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021336697).
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 agm021336697
data_agm021336697
_cell_length_a 10.10236
_cell_length_b 10.10236
_cell_length_c 8.46039
_cell_angle_alpha 78.99413
_cell_angle_beta 101.00587
_cell_angle_gamma 97.20201
_cell_volume 828.42756
_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 0.85610 0.34949 0.75568 1.00000
Na2 Na 0.34949 0.85610 0.24432 1.00000
Na3 Na 0.14486 0.66036 0.74868 1.00000
Na4 Na 0.66036 0.14486 0.25132 1.00000
Na5 Na 0.50216 0.99071 0.76283 1.00000
Na6 Na 0.99071 0.50216 0.23717 1.00000
Na7 Na 0.92476 0.92476 0.00000 1.00000
Na8 Na 0.06571 0.06571 0.50000 1.00000
Na9 Na 0.57821 0.57821 0.00000 1.00000
Ce1 Ce 0.42362 0.42362 0.50000 1.00000
Si1 Si 0.77940 0.72668 0.37998 1.00000
Si2 Si 0.27822 0.22073 0.88124 1.00000
Si3 Si 0.72668 0.77940 0.62002 1.00000
Si4 Si 0.22073 0.27822 0.11876 1.00000
Te1 Te 0.63670 0.85936 0.13930 1.00000
Te2 Te 0.14453 0.36762 0.63904 1.00000
Te3 Te 0.85936 0.63670 0.86070 1.00000
Te4 Te 0.36762 0.14453 0.36096 1.00000
Te5 Te 0.71572 0.46975 0.39042 1.00000
Te6 Te 0.21780 0.97188 0.88100 1.00000
Te7 Te 0.03066 0.77568 0.37973 1.00000
Te8 Te 0.52980 0.28567 0.87463 1.00000
Te9 Te 0.77568 0.03066 0.62027 1.00000
Te10 Te 0.28567 0.52980 0.12537 1.00000
Te11 Te 0.46975 0.71572 0.60958 1.00000
Te12 Te 0.97188 0.21780 0.11900 1.00000
