Zr3Zn4
Alexandria ALEXAlex-ID: agm005488232 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_135_spg8
ZrZn ZrZn2
2023-03-18 03:14:41.941114
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005488232).
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 agm005488232
data_agm005488232
_cell_length_a 5.93546
_cell_length_b 5.93546
_cell_length_c 7.22603
_cell_angle_alpha 76.15171
_cell_angle_beta 76.15171
_cell_angle_gamma 31.84588
_cell_volume 130.09354
_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 0.14285 0.14285 0.57144 1.00000
Zr2 Zr 0.55433 0.55433 0.27063 1.00000
Zr3 Zr 0.29389 0.29389 0.14877 1.00000
Zn1 Zn 0.00989 0.00989 0.96076 1.00000
Zn2 Zn 0.72241 0.72241 0.86101 1.00000
Zn3 Zn 0.41957 0.41957 0.71774 1.00000
Zn4 Zn 0.85706 0.85706 0.46965 1.00000
Get direct link