Zr3Fe2Sn3
Alexandria ALEXAlex-ID: agm010039796 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_15_spg12
ZrFe4Sn Zr5Sn4 ZrSn2
2024-03-04 15:12:11.398486
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010039796).
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 agm010039796
data_agm010039796
_cell_length_a 8.87288
_cell_length_b 8.87288
_cell_length_c 8.87288
_cell_angle_alpha 152.45673
_cell_angle_beta 151.75183
_cell_angle_gamma 39.86403
_cell_volume 152.59147
_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
Zr1 Zr 0.85094 0.35094 0.50000 1.00000
Zr2 Zr 0.50000 0.50000 0.00000 1.00000
Zr3 Zr 0.14906 0.64906 0.50000 1.00000
Fe1 Fe 0.75111 0.75111 0.00000 1.00000
Fe2 Fe 0.24889 0.24889 0.00000 1.00000
Sn1 Sn 0.34772 0.84772 0.50000 1.00000
Sn2 Sn 0.65228 0.15228 0.50000 1.00000
Sn3 Sn 0.00000 0.00000 0.00000 1.00000
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