Sm2BeZnAu6
Alexandria ALEXAlex-ID: agm004932110 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_455_spg166
SmAu3 SmBe13 Sm(ZnAu2)2 SmAu2
2022-07-21 15:23:27.301476
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004932110).
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 agm004932110
data_agm004932110
_cell_length_a 6.24480
_cell_length_b 7.26936
_cell_length_c 6.26437
_cell_angle_alpha 63.42793
_cell_angle_beta 59.03365
_cell_angle_gamma 88.52819
_cell_volume 210.19191
_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 0.73937 0.30383 0.43589 1.00000
Sm2 Sm 0.26063 0.69617 0.56411 1.00000
Be1 Be 1.00000 1.00000 0.00000 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
Au1 Au 0.19472 0.15374 0.51578 1.00000
Au2 Au 0.76744 0.74543 0.02168 1.00000
Au3 Au 0.32717 0.84277 0.96393 1.00000
Au4 Au 0.67282 0.15723 0.03607 1.00000
Au5 Au 0.23256 0.25457 0.97832 1.00000
Au6 Au 0.80528 0.84626 0.48422 1.00000
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