Co3AuN
Alexandria ALEXAlex-ID: agm003105877 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_504_spg65
Co Au CoN
2016-03-10 07:37:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003105877).
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 agm003105877
data_agm003105877
_cell_length_a 3.81270
_cell_length_b 6.15614
_cell_length_c 5.43113
_cell_angle_alpha 63.82278
_cell_angle_beta 90.00056
_cell_angle_gamma 90.00045
_cell_volume 114.40203
_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
Au1 Au 0.58179 0.45337 0.00292 1.00000
Au2 Au 0.58179 0.96146 0.74895 1.00000
Co1 Co 0.08180 0.70742 0.60990 1.00000
Co2 Co 0.08180 0.20742 0.87593 1.00000
Co3 Co 0.58179 0.94969 0.25485 1.00000
Co4 Co 0.58179 0.46514 0.49702 1.00000
Co5 Co 0.08180 0.20742 0.37594 1.00000
Co6 Co 0.08180 0.70742 0.14197 1.00000
N1 N 0.08176 0.44505 0.50716 1.00000
N2 N 0.08176 0.96979 0.24470 1.00000
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