Co2CuH6Os
Alexandria ALEXAlex-ID: agm007249953 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_763_spg2
CuH4 Os CoH
2024-03-26 05:06:29.575932
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007249953).
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 agm007249953
data_agm007249953
_cell_length_a 4.11533
_cell_length_b 4.71322
_cell_length_c 4.89187
_cell_angle_alpha 93.88507
_cell_angle_beta 113.65383
_cell_angle_gamma 114.75748
_cell_volume 75.68800
_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
Co1 Co 0.73186 0.57705 0.89026 1.00000
Co2 Co 0.26814 0.42295 0.10974 1.00000
Cu1 Cu 0.00000 0.50000 0.50000 1.00000
H1 H 0.25212 0.20410 0.78737 1.00000
H2 H 0.22401 0.75842 0.18374 1.00000
H3 H 0.48461 0.20987 0.31279 1.00000
H4 H 0.51539 0.79013 0.68721 1.00000
H5 H 0.77599 0.24158 0.81626 1.00000
H6 H 0.74788 0.79590 0.21263 1.00000
Os1 Os 0.50000 0.00000 0.00000 1.00000
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