Zr8ZnNi4
Alexandria ALEXAlex-ID: agm097465643 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1220_spg6
Zr2Ni ZrZn ZrNi
2025-06-22 08:42:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097465643).
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 agm097465643
data_agm097465643
_cell_length_a 4.50699
_cell_length_b 8.37870
_cell_length_c 7.95731
_cell_angle_alpha 55.11613
_cell_angle_beta 90.00161
_cell_angle_gamma 89.99511
_cell_volume 246.49577
_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 0.30782 0.27570 0.09275 1.00000
Zr2 Zr 0.30741 0.60050 0.15001 1.00000
Zr3 Zr 0.30779 0.70826 0.66992 1.00000
Zr4 Zr 0.30736 0.13112 0.61114 1.00000
Zr5 Zr 0.80754 0.73470 0.34633 1.00000
Zr6 Zr 0.80746 0.31124 0.33993 1.00000
Zr7 Zr 0.80766 0.33160 0.75392 1.00000
Zr8 Zr 0.80730 0.87887 0.88742 1.00000
Zn1 Zn 0.30741 0.98113 0.04312 1.00000
Ni1 Ni 0.80811 0.10202 0.14190 1.00000
Ni2 Ni 0.80828 0.53354 0.91442 1.00000
Ni3 Ni 0.30792 0.48411 0.52332 1.00000
Ni4 Ni 0.80793 0.92721 0.52580 1.00000
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