Co3H6Pt
Alexandria ALEXAlex-ID: agm007620120 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_417_spg146
CoH H3Pt
2024-03-05 14:12:35.456389
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007620120).
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 agm007620120
data_agm007620120
_cell_length_a 4.58991
_cell_length_b 4.66333
_cell_length_c 4.67644
_cell_angle_alpha 112.07770
_cell_angle_beta 94.06486
_cell_angle_gamma 124.69805
_cell_volume 70.73021
_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 0.79468 0.29138 0.48836 1.00000
Co2 Co 0.40642 0.02641 0.88189 1.00000
Co3 Co 0.44156 0.56772 0.40460 1.00000
H1 H 0.42259 0.84835 0.14080 1.00000
H2 H 0.50951 0.46738 0.04592 1.00000
H3 H 0.72679 0.06024 0.71542 1.00000
H4 H 0.98873 0.13412 0.20980 1.00000
H5 H 0.27046 0.56455 0.70626 1.00000
H6 H 0.88998 0.73925 0.63812 1.00000
Pt1 Pt 0.04825 0.80455 0.26985 1.00000
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