Ta3SnC2
Alexandria ALEXAlex-ID: agm002202017 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_131_spg194
Ta6C5 Ta2C Sn
2023-03-24 18:22:47.586401
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002202017).
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 agm002202017
data_agm002202017
_cell_length_a 3.17756
_cell_length_b 3.17756
_cell_length_c 19.57733
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 171.18767
_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
C1 C 0.66667 0.33333 0.06698 1.00000
C2 C 0.33333 0.66667 0.93302 1.00000
C3 C 0.33333 0.66667 0.56698 1.00000
C4 C 0.66667 0.33333 0.43302 1.00000
Sn1 Sn 0.00000 0.00000 0.75000 1.00000
Sn2 Sn 0.00000 0.00000 0.25000 1.00000
Ta1 Ta 0.00000 0.00000 0.00000 1.00000
Ta2 Ta 0.66667 0.33333 0.87212 1.00000
Ta3 Ta 0.66667 0.33333 0.62788 1.00000
Ta4 Ta 0.00000 0.00000 0.50000 1.00000
Ta5 Ta 0.33333 0.66667 0.37212 1.00000
Ta6 Ta 0.33333 0.66667 0.12788 1.00000
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