Zr6CuOs2
Alexandria ALEXAlex-ID: agm005644089 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_944_spg12
Zr4CuOs3 Zr7Os2 Zr6Cu2Os
2023-07-07 00:24:41.982509
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644089).
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 agm005644089
data_agm005644089
_cell_length_a 4.06232
_cell_length_b 6.38378
_cell_length_c 7.94168
_cell_angle_alpha 78.48699
_cell_angle_beta 75.18142
_cell_angle_gamma 71.44740
_cell_volume 187.17780
_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 0.02076 0.14468 0.81380 1.00000
Zr2 Zr 0.28357 0.31000 0.12286 1.00000
Zr3 Zr 0.71643 0.69000 0.87714 1.00000
Zr4 Zr 0.33933 0.80799 0.51336 1.00000
Zr5 Zr 0.66067 0.19201 0.48664 1.00000
Zr6 Zr 0.97924 0.85532 0.18620 1.00000
Cu1 Cu 0.00000 0.50000 0.50000 1.00000
Os1 Os 0.39602 0.44466 0.76330 1.00000
Os2 Os 0.60398 0.55534 0.23670 1.00000
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