Co2CuH6Pt
Alexandria ALEXAlex-ID: agm007249965 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_752_spg2
H10Pt Cu3Pt CuPt CoH
2024-03-26 05:13:47.937312
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007249965).
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 agm007249965
data_agm007249965
_cell_length_a 4.43839
_cell_length_b 4.75483
_cell_length_c 4.43924
_cell_angle_alpha 99.97022
_cell_angle_beta 118.76243
_cell_angle_gamma 100.02904
_cell_volume 77.20590
_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 0.33333 0.99997 0.66668 1.00000
Co2 Co 0.66667 0.00003 0.33332 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
H1 H 0.28029 0.75350 0.28001 1.00000
H2 H 0.46406 0.23255 0.09714 1.00000
H3 H 0.09796 0.23305 0.46543 1.00000
H4 H 0.90204 0.76695 0.53457 1.00000
H5 H 0.53594 0.76745 0.90286 1.00000
H6 H 0.71971 0.24650 0.71999 1.00000
Pt1 Pt 0.50000 0.50000 0.50000 1.00000
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