Zr6NiOs5
Alexandria ALEXAlex-ID: agm006099862 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
ZrNi ZrOs
2023-09-18 01:14:40.466846
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006099862).
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 agm006099862
data_agm006099862
_cell_length_a 4.65318
_cell_length_b 6.53275
_cell_length_c 8.04938
_cell_angle_alpha 113.94028
_cell_angle_beta 106.80155
_cell_angle_gamma 90.00086
_cell_volume 212.15557
_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 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.66708 0.16708 0.33418 1.00000
Os2 Os 0.33415 0.33405 0.66808 1.00000
Os3 Os 0.00000 0.50000 0.00000 1.00000
Os4 Os 0.66585 0.66595 0.33192 1.00000
Os5 Os 0.33292 0.83292 0.66582 1.00000
Zr1 Zr 0.83415 0.58559 0.66827 1.00000
Zr2 Zr 0.83412 0.08269 0.66827 1.00000
Zr3 Zr 0.50003 0.75231 1.00000 1.00000
Zr4 Zr 0.49997 0.24769 0.00000 1.00000
Zr5 Zr 0.16588 0.91731 0.33173 1.00000
Zr6 Zr 0.16585 0.41441 0.33173 1.00000
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