AcH6Pt2S
Alexandria ALEXAlex-ID: agm007691337 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_30_spg2
AcH6Pt AcPt5 H3Pt Ac2S3
2024-03-16 00:58:20.428829
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007691337).
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 agm007691337
data_agm007691337
_cell_length_a 5.31070
_cell_length_b 5.17468
_cell_length_c 5.98885
_cell_angle_alpha 71.49905
_cell_angle_beta 105.13122
_cell_angle_gamma 122.85228
_cell_volume 130.29548
_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
Ac1 Ac 0.50632 0.89944 0.52700 1.00000
H1 H 0.46419 0.57827 0.27657 1.00000
H2 H 0.75214 0.04827 0.15826 1.00000
H3 H 0.53471 0.37206 0.93107 1.00000
H4 H 0.06968 0.02311 0.52868 1.00000
H5 H 0.82297 0.44796 0.66689 1.00000
H6 H 0.97276 0.46611 0.33985 1.00000
Pt1 Pt 0.09922 0.31340 0.23074 1.00000
Pt2 Pt 0.00415 0.73333 0.80640 1.00000
S1 S 0.27386 0.11806 0.03454 1.00000
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