Sc2Co(H3Pt)2
Alexandria ALEXAlex-ID: agm006565634 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_26_spg166
ScCoH4 ScH3 ScCoH6 ScPt3
2024-02-28 19:28:12.792418
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006565634).
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 agm006565634
data_agm006565634
_cell_length_a 5.26687
_cell_length_b 5.26687
_cell_length_c 5.74397
_cell_angle_alpha 60.25891
_cell_angle_beta 60.25891
_cell_angle_gamma 49.72681
_cell_volume 101.78882
_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
Sc1 Sc 0.30035 0.30035 0.71079 1.00000
Sc2 Sc 0.69965 0.69965 0.28921 1.00000
Co1 Co 0.50000 0.50000 0.00000 1.00000
H1 H 0.23080 0.23080 0.14274 1.00000
H2 H 0.82259 0.41684 0.70564 1.00000
H3 H 0.58316 0.17741 0.29436 1.00000
H4 H 0.17741 0.58316 0.29436 1.00000
H5 H 0.41684 0.82259 0.70564 1.00000
H6 H 0.76920 0.76920 0.85726 1.00000
Pt1 Pt 0.02005 0.02005 0.24724 1.00000
Pt2 Pt 0.97995 0.97995 0.75276 1.00000
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