ZnTcSn3
Alexandria ALEXAlex-ID: agm003733181 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_2690_spg148
Zn3Tc ZnTcSn4 ZnTc2
2022-04-18 04:57:46.436816
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003733181).
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
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# CIF generated by HEAS from Alexandria entry agm003733181
data_agm003733181
_cell_length_a 6.48360
_cell_length_b 6.48375
_cell_length_c 7.28592
_cell_angle_alpha 63.58056
_cell_angle_beta 63.57981
_cell_angle_gamma 60.00022
_cell_volume 227.56541
_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
Zn1 Zn 0.82399 0.82399 0.52804 1.00000
Zn2 Zn 0.17601 0.17601 0.47196 1.00000
Tc1 Tc 0.32045 0.32043 0.03869 1.00000
Tc2 Tc 0.67955 0.67957 0.96131 1.00000
Sn1 Sn 0.74067 0.37948 0.75282 1.00000
Sn2 Sn 0.12706 0.74066 0.75281 1.00000
Sn3 Sn 0.37950 0.12703 0.75282 1.00000
Sn4 Sn 0.25933 0.62052 0.24718 1.00000
Sn5 Sn 0.87295 0.25934 0.24719 1.00000
Sn6 Sn 0.62051 0.87297 0.24718 1.00000
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