Sm(CuAu2)4
Alexandria ALEXAlex-ID: agm003672016 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2_spg139
Cu2Au5 Sm14Au51 Cu
2022-04-20 21:22:03.139974
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672016).
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 agm003672016
data_agm003672016
_cell_length_a 5.31215
_cell_length_b 7.03556
_cell_length_c 7.03556
_cell_angle_alpha 81.80615
_cell_angle_beta 67.81974
_cell_angle_gamma 67.81974
_cell_volume 225.47111
_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 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Cu2 Cu 0.50000 0.00000 0.50000 1.00000
Cu3 Cu 0.00000 0.50000 0.00000 1.00000
Cu4 Cu 0.50000 0.50000 0.00000 1.00000
Au1 Au 0.00000 0.33798 0.66202 1.00000
Au2 Au 1.00000 0.66202 0.33798 1.00000
Au3 Au 0.33798 0.66202 0.66202 1.00000
Au4 Au 0.66202 0.33798 0.33798 1.00000
Au5 Au 0.50000 0.78102 0.21898 1.00000
Au6 Au 0.50000 0.21898 0.78102 1.00000
Au7 Au 0.28102 0.21898 0.21898 1.00000
Au8 Au 0.71898 0.78102 0.78102 1.00000
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