Tm2(ZrSn)3
Alexandria ALEXAlex-ID: agm009854545 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_1761_spg38
Tm3Zr2Sn3 Zr5Sn3
2024-04-06 15:06:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009854545).
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 agm009854545
data_agm009854545
_cell_length_a 8.69658
_cell_length_b 8.69658
_cell_length_c 5.97062
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.32139
_cell_volume 389.79009
_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
Tm1 Tm 0.23826 0.23826 0.00000 1.00000
Tm2 Tm 0.00077 0.75823 0.00000 1.00000
Tm3 Tm 0.75823 0.00077 0.00000 1.00000
Tm4 Tm 0.76574 0.76574 0.50000 1.00000
Zr1 Zr 0.00122 0.24849 0.50000 1.00000
Zr2 Zr 0.24849 0.00122 0.50000 1.00000
Zr3 Zr 0.66496 0.33123 0.25144 1.00000
Zr4 Zr 0.33123 0.66496 0.25144 1.00000
Zr5 Zr 0.33123 0.66496 0.74856 1.00000
Zr6 Zr 0.66496 0.33123 0.74856 1.00000
Sn1 Sn 0.60056 0.60056 0.00000 1.00000
Sn2 Sn 0.99908 0.39737 0.00000 1.00000
Sn3 Sn 0.39737 0.99908 0.00000 1.00000
Sn4 Sn 0.39079 0.39079 0.50000 1.00000
Sn5 Sn 0.00163 0.60549 0.50000 1.00000
Sn6 Sn 0.60549 0.00163 0.50000 1.00000
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