Na2TiInTe5
Alexandria ALEXAlex-ID: agm005149929 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_210_spg36
Na5(InTe3)2 TiTe5 NaInTe2 TiTe2
2023-01-16 10:47:01.560981
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149929).
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 agm005149929
data_agm005149929
_cell_length_a 3.95584
_cell_length_b 9.83088
_cell_length_c 15.18285
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 101.60683
_cell_volume 578.37851
_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 0.87040 0.74080 0.81305 1.00000
Na2 Na 0.09963 0.19926 0.65265 1.00000
Na3 Na 0.12960 0.25920 0.31305 1.00000
Na4 Na 0.90037 0.80074 0.15265 1.00000
Ti1 Ti 0.77272 0.54544 0.54729 1.00000
Ti2 Ti 0.22728 0.45456 0.04729 1.00000
In1 In 0.56965 0.13930 0.91946 1.00000
In2 In 0.43035 0.86070 0.41946 1.00000
Te1 Te 0.36080 0.72160 0.99488 1.00000
Te2 Te 0.71691 0.43383 0.90928 1.00000
Te3 Te 0.49885 0.99769 0.76123 1.00000
Te4 Te 0.27160 0.54320 0.67303 1.00000
Te5 Te 0.92720 0.85440 0.55310 1.00000
Te6 Te 0.63920 0.27840 0.49488 1.00000
Te7 Te 0.28309 0.56617 0.40928 1.00000
Te8 Te 0.50115 0.00231 0.26123 1.00000
Te9 Te 0.72840 0.45680 0.17303 1.00000
Te10 Te 0.07280 0.14560 0.05310 1.00000
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