NdTl3(SnTe3)2
Alexandria ALEXAlex-ID: agm004635393 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Tl9SnTe6 NdTe3 TlSn4Te5 NdTlTe2
2022-06-29 20:25:19.711724
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635393).
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 agm004635393
data_agm004635393
_cell_length_a 7.86482
_cell_length_b 7.86482
_cell_length_c 8.28945
_cell_angle_alpha 99.12725
_cell_angle_beta 99.12725
_cell_angle_gamma 119.97240
_cell_volume 421.24886
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.16319 0.83681 0.50000 1.00000
Tl2 Tl 0.83681 0.16319 0.50000 1.00000
Tl3 Tl 0.50000 0.50000 0.50000 1.00000
Sn1 Sn 0.33301 0.66699 0.00000 1.00000
Sn2 Sn 0.66699 0.33301 0.00000 1.00000
Te1 Te 0.92589 0.58713 0.77797 1.00000
Te2 Te 0.73393 0.73393 0.21922 1.00000
Te3 Te 0.07411 0.41287 0.22203 1.00000
Te4 Te 0.58713 0.92589 0.77797 1.00000
Te5 Te 0.26607 0.26607 0.78078 1.00000
Te6 Te 0.41287 0.07411 0.22203 1.00000
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