Zr3GaSn2
Alexandria ALEXAlex-ID: agm005742101 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2056_spg62
Zr5Sn4 Zr2Ga3 ZrSn2
2023-08-18 04:19:06.928869
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005742101).
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 agm005742101
data_agm005742101
_cell_length_a 4.00090
_cell_length_b 10.42005
_cell_length_c 12.55259
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 523.31177
_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 0.25000 0.42882 0.07511 1.00000
Zr2 Zr 0.75000 0.57118 0.92489 1.00000
Zr3 Zr 0.75000 0.92882 0.42489 1.00000
Zr4 Zr 0.25000 0.07118 0.57511 1.00000
Zr5 Zr 0.25000 0.76831 0.27915 1.00000
Zr6 Zr 0.75000 0.23169 0.72085 1.00000
Zr7 Zr 0.75000 0.26831 0.22085 1.00000
Zr8 Zr 0.25000 0.73169 0.77915 1.00000
Zr9 Zr 0.25000 0.45386 0.37060 1.00000
Zr10 Zr 0.75000 0.54614 0.62940 1.00000
Zr11 Zr 0.75000 0.95386 0.12940 1.00000
Zr12 Zr 0.25000 0.04614 0.87060 1.00000
Ga1 Ga 0.25000 0.14617 0.08657 1.00000
Ga2 Ga 0.75000 0.85383 0.91343 1.00000
Ga3 Ga 0.75000 0.64617 0.41343 1.00000
Ga4 Ga 0.25000 0.35383 0.58657 1.00000
Sn1 Sn 0.25000 0.75356 0.53898 1.00000
Sn2 Sn 0.75000 0.24644 0.46102 1.00000
Sn3 Sn 0.75000 0.25356 0.96102 1.00000
Sn4 Sn 0.25000 0.74644 0.03898 1.00000
Sn5 Sn 0.25000 0.06567 0.29794 1.00000
Sn6 Sn 0.75000 0.93433 0.70206 1.00000
Sn7 Sn 0.75000 0.56567 0.20206 1.00000
Sn8 Sn 0.25000 0.43433 0.79794 1.00000
