Y3(ZrSn2)2
Alexandria ALEXAlex-ID: agm031127672 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_2246_spg14
Y2Zr3Sn4 Y4Zr2Sn5 Y5Sn3
2024-11-26 14:26:01.736291
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm031127672).
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 agm031127672
data_agm031127672
_cell_length_a 6.14204
_cell_length_b 8.97656
_cell_length_c 8.93238
_cell_angle_alpha 90.00000
_cell_angle_beta 108.51660
_cell_angle_gamma 90.00000
_cell_volume 466.98658
_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 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.00000 0.00000 0.00000 1.00000
Y3 Y 0.65805 0.12033 0.29180 1.00000
Y4 Y 0.84195 0.62033 0.70820 1.00000
Y5 Y 0.34195 0.87967 0.70820 1.00000
Y6 Y 0.15805 0.37967 0.29180 1.00000
Zr1 Zr 0.93478 0.75152 0.36225 1.00000
Zr2 Zr 0.56522 0.25152 0.63775 1.00000
Zr3 Zr 0.06522 0.24848 0.63775 1.00000
Zr4 Zr 0.43478 0.74848 0.36225 1.00000
Sn1 Sn 0.69949 0.44906 0.38183 1.00000
Sn2 Sn 0.80051 0.94906 0.61818 1.00000
Sn3 Sn 0.30051 0.55094 0.61818 1.00000
Sn4 Sn 0.19949 0.05094 0.38183 1.00000
Sn5 Sn 0.55107 0.84071 0.07047 1.00000
Sn6 Sn 0.94893 0.34071 0.92953 1.00000
Sn7 Sn 0.44893 0.15929 0.92953 1.00000
Sn8 Sn 0.05107 0.65929 0.07047 1.00000
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