Er8Sn5Bi
Alexandria ALEXAlex-ID: agm006102483 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_86_spg82
Er5(SnBi)2 Er5Sn4 Er5Sn3
2023-08-11 07:49:08.167954
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006102483).
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 agm006102483
data_agm006102483
_cell_length_a 7.99016
_cell_length_b 7.99016
_cell_length_c 7.99016
_cell_angle_alpha 109.44619
_cell_angle_beta 109.52130
_cell_angle_gamma 109.44618
_cell_volume 392.68536
_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
Er1 Er 0.12477 0.75363 0.02388 1.00000
Er2 Er 0.97612 0.10089 0.72975 1.00000
Er3 Er 0.76100 0.24678 0.36853 1.00000
Er4 Er 0.63147 0.39247 0.87825 1.00000
Er5 Er 0.48578 0.60753 0.23900 1.00000
Er6 Er 0.62886 0.89911 0.87523 1.00000
Er7 Er 0.27025 0.24637 0.37114 1.00000
Er8 Er 0.12175 0.75322 0.51422 1.00000
Sn1 Sn 0.00467 0.37645 0.12787 1.00000
Sn2 Sn 0.87213 0.87680 0.24858 1.00000
Sn3 Sn 0.75142 0.62355 0.62822 1.00000
Sn4 Sn 0.50000 0.00000 0.50000 1.00000
Sn5 Sn 0.37178 0.12320 0.99533 1.00000
Bi1 Bi 0.25000 0.50000 0.75000 1.00000
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