Co(H2Pt)3
Alexandria ALEXAlex-ID: agm006494017 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_1171_spg12
H3Pt Co3Pt CoPt2
2024-02-28 08:47:15.852010
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006494017).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006494017
data_agm006494017
_cell_length_a 4.08232
_cell_length_b 4.68140
_cell_length_c 5.50818
_cell_angle_alpha 82.37495
_cell_angle_beta 92.64928
_cell_angle_gamma 117.19505
_cell_volume 92.78977
_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 0.89151 0.98668 0.80515 1.00000
H1 H 0.99555 0.25996 0.56421 1.00000
H2 H 0.31340 0.05912 0.70718 1.00000
H3 H 0.66200 0.86368 0.55010 1.00000
H4 H 0.04175 0.74886 0.36970 1.00000
H5 H 0.69806 0.04582 0.08700 1.00000
H6 H 0.34947 0.35814 0.19547 1.00000
Pt1 Pt 0.25805 0.68543 0.13392 1.00000
Pt2 Pt 0.57916 0.34422 0.94019 1.00000
Pt3 Pt 0.21105 0.64809 0.64708 1.00000
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