Zr2CoNi
Alexandria ALEXAlex-ID: agm003263181 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_513_spg8
Zr3Co2Ni Zr3CoNi2
2021-12-06 12:13:20.770910
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003263181).
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 agm003263181
data_agm003263181
_cell_length_a 5.25628
_cell_length_b 5.25608
_cell_length_c 5.19779
_cell_angle_alpha 101.62850
_cell_angle_beta 78.37274
_cell_angle_gamma 77.83603
_cell_volume 132.95618
_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 0.03394 0.84580 0.35586 1.00000
Ni2 Ni 0.56416 0.31564 0.35758 1.00000
Co1 Co 0.88532 0.49700 0.01990 1.00000
Co2 Co 0.38263 0.99443 0.01991 1.00000
Zr1 Zr 0.02864 0.36861 0.47248 1.00000
Zr2 Zr 0.41258 0.46712 0.91538 1.00000
Zr3 Zr 0.51109 0.85108 0.47248 1.00000
Zr4 Zr 0.90946 0.97018 0.90830 1.00000
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