SmCu2H4Au
Alexandria ALEXAlex-ID: agm007488666 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_39_spg82
CuH4 SmH3 Sm14Au51 Cu
2025-05-26 22:09:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007488666).
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 agm007488666
data_agm007488666
_cell_length_a 4.83100
_cell_length_b 4.83100
_cell_length_c 4.74477
_cell_angle_alpha 63.78686
_cell_angle_beta 116.21314
_cell_angle_gamma 91.34739
_cell_volume 87.08121
_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
Sm1 Sm 0.51905 0.51905 0.00000 1.00000
Cu1 Cu 0.00926 0.00926 0.00000 1.00000
Cu2 Cu 0.82171 0.82171 0.50000 1.00000
H1 H 0.91223 0.45170 0.83435 1.00000
H2 H 0.04450 0.63938 0.35220 1.00000
H3 H 0.63938 0.04450 0.64780 1.00000
H4 H 0.45170 0.91223 0.16565 1.00000
Au1 Au 0.21672 0.21672 0.50000 1.00000
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