CoCuH3Au
Alexandria ALEXAlex-ID: agm006983151 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_1249_spg11
CuH4 Cu2Au5 CoH Cu
2024-04-17 18:57:41.975525
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006983151).
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 agm006983151
data_agm006983151
_cell_length_a 2.81953
_cell_length_b 4.08313
_cell_length_c 8.81061
_cell_angle_alpha 85.23471
_cell_angle_beta 90.01414
_cell_angle_gamma 90.00415
_cell_volume 101.08158
_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 0.74983 0.75420 0.92382 1.00000
Co2 Co 0.25017 0.24580 0.07618 1.00000
Cu1 Cu 0.24928 0.25553 0.75512 1.00000
Cu2 Cu 0.75072 0.74447 0.24488 1.00000
H1 H 0.24984 0.51194 0.91041 1.00000
H2 H 0.75016 0.48806 0.08959 1.00000
H3 H 0.25081 0.02341 0.23923 1.00000
H4 H 0.74919 0.97659 0.76077 1.00000
H5 H 0.24986 0.98526 0.93292 1.00000
H6 H 0.75014 0.01474 0.06708 1.00000
Au1 Au 0.25033 0.27267 0.41297 1.00000
Au2 Au 0.74967 0.72733 0.58703 1.00000
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