Er8SnBi5
Alexandria ALEXAlex-ID: agm006102494 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
Er10(SnBi)3 Er5Bi3 ErBi
2023-08-11 07:55:05.105256
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006102494).
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 agm006102494
data_agm006102494
_cell_length_a 8.05816
_cell_length_b 8.05816
_cell_length_c 8.05816
_cell_angle_alpha 109.58638
_cell_angle_beta 109.24115
_cell_angle_gamma 109.58638
_cell_volume 402.79110
_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 0.12396 0.74354 0.01521 1.00000
Er2 Er 0.98479 0.10875 0.72833 1.00000
Er3 Er 0.78166 0.25433 0.38302 1.00000
Er4 Er 0.61698 0.39864 0.87131 1.00000
Er5 Er 0.47267 0.60136 0.21834 1.00000
Er6 Er 0.61958 0.89125 0.87604 1.00000
Er7 Er 0.27167 0.25646 0.38042 1.00000
Er8 Er 0.12869 0.74567 0.52733 1.00000
Sn1 Sn 0.25000 0.50000 0.75000 1.00000
Bi1 Bi 0.99321 0.37143 0.12036 1.00000
Bi2 Bi 0.87964 0.87285 0.25107 1.00000
Bi3 Bi 0.74893 0.62857 0.62179 1.00000
Bi4 Bi 0.50000 0.00000 0.50000 1.00000
Bi5 Bi 0.37821 0.12715 0.00679 1.00000
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