ZrNbOs
Alexandria ALEXAlex-ID: agm005678631 · Space group: P4mm (#99)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_260_spg129
Nb4Os Zr3Nb2Os3 Zr2Nb3Os
2023-06-19 13:34:33.768704
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678631).
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 agm005678631
data_agm005678631
_cell_length_a 3.27231
_cell_length_b 3.27390
_cell_length_c 10.58362
_cell_angle_alpha 108.04051
_cell_angle_beta 90.00008
_cell_angle_gamma 89.99884
_cell_volume 107.81039
_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 0.05983 0.27771 0.30480 1.00000
Zr2 Zr 0.05978 0.95114 0.97802 1.00000
Nb1 Nb 0.55974 0.26867 0.79556 1.00000
Nb2 Nb 0.05976 0.60141 0.62865 1.00000
Os1 Os 0.55980 0.61678 0.14384 1.00000
Os2 Os 0.55975 0.94661 0.47377 1.00000
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