KSc(H4Au)2
Alexandria ALEXAlex-ID: agm007206548 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1176_spg166
ScAu4 ScH3 KH6Au KH2Au
2024-01-28 14:00:09.730940
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007206548).
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 agm007206548
data_agm007206548
_cell_length_a 3.85800
_cell_length_b 3.96705
_cell_length_c 9.62438
_cell_angle_alpha 98.52535
_cell_angle_beta 97.16853
_cell_angle_gamma 107.51483
_cell_volume 136.65951
_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
K1 K 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.50000 0.00000 0.50000 1.00000
H1 H 0.90390 0.39291 0.81355 1.00000
H2 H 0.43043 0.42324 0.39047 1.00000
H3 H 0.09610 0.60709 0.18645 1.00000
H4 H 0.42249 0.91134 0.80643 1.00000
H5 H 0.57751 0.08866 0.19357 1.00000
H6 H 0.95883 0.94196 0.38886 1.00000
H7 H 0.04117 0.05804 0.61114 1.00000
H8 H 0.56957 0.57676 0.60953 1.00000
Au1 Au 0.22235 0.49634 0.71119 1.00000
Au2 Au 0.77765 0.50366 0.28881 1.00000
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