ThCo2H7Pt2
Alexandria ALEXAlex-ID: agm006709077 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_10_spg44
Th(HPt)3 Th(CoH3)2 CoH Th(H3Pt)4
2024-02-24 16:41:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006709077).
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 agm006709077
data_agm006709077
_cell_length_a 7.03420
_cell_length_b 7.03420
_cell_length_c 3.57164
_cell_angle_alpha 82.60651
_cell_angle_beta 82.60651
_cell_angle_gamma 39.17449
_cell_volume 110.58792
_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
Th1 Th 0.91379 0.08621 0.00000 1.00000
Co1 Co 0.55828 0.64047 0.43871 1.00000
Co2 Co 0.35953 0.44172 0.56129 1.00000
H1 H 0.34579 0.96084 0.19202 1.00000
H2 H 0.40404 0.18594 0.76219 1.00000
H3 H 0.36825 0.44928 0.05494 1.00000
H4 H 0.03916 0.65421 0.80798 1.00000
H5 H 0.81406 0.59596 0.23781 1.00000
H6 H 0.55072 0.63175 0.94506 1.00000
H7 H 0.26454 0.73546 0.50000 1.00000
Pt1 Pt 0.13740 0.25589 0.46277 1.00000
Pt2 Pt 0.74411 0.86260 0.53723 1.00000
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