Zr6Os2Rh
Alexandria ALEXAlex-ID: agm005646671 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_680_spg12
Zr4Os3 Zr7Os2 Zr2Rh
2023-07-10 20:03:25.931008
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646671).
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 agm005646671
data_agm005646671
_cell_length_a 4.68948
_cell_length_b 5.79509
_cell_length_c 7.41342
_cell_angle_alpha 82.67219
_cell_angle_beta 71.56172
_cell_angle_gamma 66.13344
_cell_volume 174.78146
_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 0.98544 0.19317 0.83595 1.00000
Zr2 Zr 0.32135 0.19309 0.16422 1.00000
Zr3 Zr 0.67865 0.80691 0.83578 1.00000
Zr4 Zr 0.34633 0.80738 0.49995 1.00000
Zr5 Zr 0.65367 0.19262 0.50005 1.00000
Zr6 Zr 0.01456 0.80683 0.16405 1.00000
Os1 Os 0.33446 0.49995 0.83113 1.00000
Os2 Os 0.66554 0.50005 0.16887 1.00000
Rh1 Rh 0.00000 0.50000 0.50000 1.00000
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