Zr4Co2Ni
Alexandria ALEXAlex-ID: agm005994733 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1158_spg1
Zr3Co2Ni Zr3CoNi2 Zr7Co3
2023-09-12 14:45:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994733).
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 agm005994733
data_agm005994733
_cell_length_a 6.62769
_cell_length_b 6.54730
_cell_length_c 6.71453
_cell_angle_alpha 105.93897
_cell_angle_beta 106.54342
_cell_angle_gamma 106.56751
_cell_volume 246.82210
_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
Ni1 Ni 0.68393 0.31761 0.50694 1.00000
Ni2 Ni 0.96248 0.02855 0.98854 1.00000
Co1 Co 0.26001 0.60769 0.08232 1.00000
Co2 Co 0.56705 0.13124 0.82043 1.00000
Co3 Co 0.86989 0.72173 0.40281 1.00000
Co4 Co 0.38088 0.44556 0.69693 1.00000
Zr1 Zr 0.18759 0.79945 0.77984 1.00000
Zr2 Zr 0.82064 0.56300 0.93781 1.00000
Zr3 Zr 0.04773 0.40872 0.30566 1.00000
Zr4 Zr 0.58625 0.76298 0.59634 1.00000
Zr5 Zr 0.24312 0.99090 0.37255 1.00000
Zr6 Zr 0.65073 0.91638 0.17137 1.00000
Zr7 Zr 0.01569 0.21578 0.70258 1.00000
Zr8 Zr 0.47400 0.34039 0.13588 1.00000
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