ZnCo2H6Os
Alexandria ALEXAlex-ID: agm007448874 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_745_spg1
ZnH8Os Zn11Co2 Os Co
2024-03-15 20:48:55.152401
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007448874).
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 agm007448874
data_agm007448874
_cell_length_a 4.44171
_cell_length_b 4.39395
_cell_length_c 4.82615
_cell_angle_alpha 98.16073
_cell_angle_beta 82.84909
_cell_angle_gamma 120.58902
_cell_volume 80.11059
_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
Zn1 Zn 0.62750 0.96109 0.09098 1.00000
Co1 Co 0.39582 0.18936 0.53521 1.00000
Co2 Co 0.72464 0.86991 0.58349 1.00000
H1 H 0.72836 0.53578 0.32539 1.00000
H2 H 0.70163 0.21450 0.73162 1.00000
H3 H 0.38100 0.53369 0.71978 1.00000
H4 H 0.05330 0.88404 0.71868 1.00000
H5 H 0.13098 0.59162 0.10398 1.00000
H6 H 0.18447 0.21116 0.25634 1.00000
Os1 Os 0.07434 0.50988 0.42853 1.00000
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