CoCu2H3
Alexandria ALEXAlex-ID: agm005757238 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_103_spg139
CuH4 Cu CoH
2023-07-09 23:08:33.585649
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757238).
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 agm005757238
data_agm005757238
_cell_length_a 2.66821
_cell_length_b 2.66819
_cell_length_c 6.12392
_cell_angle_alpha 102.69997
_cell_angle_beta 102.70226
_cell_angle_gamma 89.46954
_cell_volume 41.45533
_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 0.43423 0.43561 0.87396 1.00000
Cu1 Cu 0.09885 0.10036 0.20313 1.00000
Cu2 Cu 0.76969 0.77120 0.54480 1.00000
H1 H 0.93408 0.93569 0.87396 1.00000
H2 H 0.29025 0.29166 0.58598 1.00000
H3 H 0.57826 0.57960 0.16193 1.00000
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