Sr2Sm(GeAu4)3
Alexandria ALEXAlex-ID: agm004492201 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_99_spg166
SrAu5 Sm14Au51 SrGeAu3 Ge
2022-06-20 02:55:31.492792
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004492201).
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 agm004492201
data_agm004492201
_cell_length_a 8.09610
_cell_length_b 8.09610
_cell_length_c 8.09610
_cell_angle_alpha 70.11668
_cell_angle_beta 70.11668
_cell_angle_gamma 70.11668
_cell_volume 453.92502
_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
Sr1 Sr 0.59948 0.59948 0.59948 1.00000
Sr2 Sr 0.40052 0.40052 0.40052 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.50000 0.00000 0.00000 1.00000
Ge2 Ge 0.00000 0.50000 0.00000 1.00000
Ge3 Ge 0.00000 0.00000 0.50000 1.00000
Au1 Au 0.31018 0.31018 0.84184 1.00000
Au2 Au 0.84872 0.84872 0.37902 1.00000
Au3 Au 0.37902 0.84872 0.84872 1.00000
Au4 Au 0.84184 0.31018 0.31018 1.00000
Au5 Au 0.84872 0.37902 0.84872 1.00000
Au6 Au 0.31018 0.84184 0.31018 1.00000
Au7 Au 0.68982 0.68982 0.15816 1.00000
Au8 Au 0.15128 0.15128 0.62098 1.00000
Au9 Au 0.62098 0.15128 0.15128 1.00000
Au10 Au 0.15816 0.68982 0.68982 1.00000
Au11 Au 0.15128 0.62098 0.15128 1.00000
Au12 Au 0.68982 0.15816 0.68982 1.00000
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