Y6Tc2Sn
Alexandria ALEXAlex-ID: agm005697274 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_712_spg71
Y3Tc YTc2 Y5Sn3
2023-07-10 15:26:15.871979
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697274).
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 agm005697274
data_agm005697274
_cell_length_a 8.56905
_cell_length_b 8.56905
_cell_length_c 8.56905
_cell_angle_alpha 104.78351
_cell_angle_beta 112.06635
_cell_angle_gamma 111.66337
_cell_volume 481.95633
_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
Y1 Y 0.52895 0.71887 0.81007 1.00000
Y2 Y 0.47105 0.28113 0.18993 1.00000
Y3 Y 0.09120 0.28113 0.81007 1.00000
Y4 Y 0.90880 0.71887 0.18993 1.00000
Y5 Y 0.78606 0.76178 0.54784 1.00000
Y6 Y 0.21394 0.23822 0.45216 1.00000
Y7 Y 0.21394 0.76178 0.97573 1.00000
Y8 Y 0.78606 0.23822 0.02427 1.00000
Y9 Y 0.70245 0.38300 0.68055 1.00000
Y10 Y 0.29755 0.61700 0.31945 1.00000
Y11 Y 0.29755 0.97810 0.68055 1.00000
Y12 Y 0.70245 0.02190 0.31945 1.00000
Tc1 Tc 0.50000 0.38590 0.88590 1.00000
Tc2 Tc 0.50000 0.61410 0.11410 1.00000
Tc3 Tc 0.63195 0.00000 0.63195 1.00000
Tc4 Tc 0.36805 1.00000 0.36805 1.00000
Sn1 Sn 0.00000 0.50000 0.50000 1.00000
Sn2 Sn 0.00000 0.00000 0.00000 1.00000
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