Zr3Zn2
Alexandria ALEXAlex-ID: agm005408795 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_74_spg166
ZrZn Zr
2023-03-17 22:09:38.206338
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005408795).
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 agm005408795
data_agm005408795
_cell_length_a 11.44082
_cell_length_b 11.44082
_cell_length_c 11.44082
_cell_angle_alpha 16.48597
_cell_angle_beta 16.48597
_cell_angle_gamma 16.48597
_cell_volume 105.16072
_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 0.00000 0.00000 0.00000 1.00000
Zr2 Zr 0.79748 0.79748 0.79748 1.00000
Zr3 Zr 0.20252 0.20252 0.20252 1.00000
Zn1 Zn 0.60184 0.60184 0.60184 1.00000
Zn2 Zn 0.39816 0.39816 0.39816 1.00000
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