Co3H2
Alexandria ALEXAlex-ID: agm006792467 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_28_spg15
Co3H2
2024-10-26 20:19:27.305145
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006792467).
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 agm006792467
data_agm006792467
_cell_length_a 4.46035
_cell_length_b 4.46035
_cell_length_c 4.46338
_cell_angle_alpha 80.41448
_cell_angle_beta 80.41448
_cell_angle_gamma 119.92484
_cell_volume 72.57601
_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 0.16137 0.32389 0.00385 1.00000
Co2 Co 0.83863 0.67611 0.99615 1.00000
Co3 Co 0.67611 0.83863 0.49615 1.00000
Co4 Co 0.50000 0.00000 0.00000 1.00000
Co5 Co 0.32389 0.16137 0.50385 1.00000
Co6 Co 0.00000 0.50000 0.50000 1.00000
H1 H 0.41799 0.58201 0.25000 1.00000
H2 H 0.58201 0.41799 0.75000 1.00000
H3 H 0.25039 0.74961 0.75000 1.00000
H4 H 0.74961 0.25039 0.25000 1.00000
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