Zr6Ni2Rh
Alexandria ALEXAlex-ID: agm005803513 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_712_spg71
Zr2Ni Zr2Rh
2023-07-09 00:08:11.709030
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803513).
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 agm005803513
data_agm005803513
_cell_length_a 7.72147
_cell_length_b 7.72146
_cell_length_c 7.72147
_cell_angle_alpha 101.21945
_cell_angle_beta 112.43263
_cell_angle_gamma 115.07700
_cell_volume 348.76889
_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 0.51665 0.70602 0.81063 1.00000
Zr2 Zr 0.48335 0.29398 0.18937 1.00000
Zr3 Zr 0.10461 0.29398 0.81063 1.00000
Zr4 Zr 0.89540 0.70602 0.18937 1.00000
Zr5 Zr 0.80807 0.76530 0.57337 1.00000
Zr6 Zr 0.19193 0.23470 0.42663 1.00000
Zr7 Zr 0.19193 0.76530 0.95724 1.00000
Zr8 Zr 0.80807 0.23470 0.04276 1.00000
Zr9 Zr 0.70408 0.37429 0.67021 1.00000
Zr10 Zr 0.29592 0.62571 0.32979 1.00000
Zr11 Zr 0.29592 0.96613 0.67021 1.00000
Zr12 Zr 0.70408 0.03387 0.32979 1.00000
Ni1 Ni 0.50000 0.37424 0.87424 1.00000
Ni2 Ni 0.50000 0.62576 0.12576 1.00000
Ni3 Ni 0.65047 0.00000 0.65047 1.00000
Ni4 Ni 0.34953 1.00000 0.34953 1.00000
Rh1 Rh 0.00000 0.50000 0.50000 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
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