ScCd(H4Au)2
Alexandria ALEXAlex-ID: agm007169380 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1071_spg2
Cd2Au3 ScH3 CdAu H6Au
2024-01-28 17:53:33.214309
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007169380).
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 agm007169380
data_agm007169380
_cell_length_a 5.55085
_cell_length_b 5.21682
_cell_length_c 5.11111
_cell_angle_alpha 86.21071
_cell_angle_beta 93.77696
_cell_angle_gamma 94.35247
_cell_volume 146.98110
_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 0.50000 0.00000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
H1 H 0.81996 0.33654 0.15204 1.00000
H2 H 0.30381 0.14206 0.78612 1.00000
H3 H 0.18004 0.66346 0.84796 1.00000
H4 H 0.18102 0.02296 0.30507 1.00000
H5 H 0.81898 0.97704 0.69493 1.00000
H6 H 0.64845 0.37229 0.62371 1.00000
H7 H 0.35155 0.62771 0.37629 1.00000
H8 H 0.69619 0.85794 0.21388 1.00000
Au1 Au 0.61677 0.51197 0.25850 1.00000
Au2 Au 0.38323 0.48803 0.74150 1.00000
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