Er6In5Sn
Alexandria ALEXAlex-ID: agm006089102 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
Er3In5 Er5Sn3 ErIn
2023-08-28 15:45:41.438885
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089102).
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 agm006089102
data_agm006089102
_cell_length_a 4.92269
_cell_length_b 8.85276
_cell_length_c 8.85276
_cell_angle_alpha 111.90505
_cell_angle_beta 106.13750
_cell_angle_gamma 106.13755
_cell_volume 310.72247
_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
In1 In 0.50000 0.17168 0.82831 1.00000
In2 In 1.00000 0.33433 0.66567 1.00000
In3 In 0.50000 0.50000 0.50000 1.00000
In4 In 0.00000 0.66567 0.33433 1.00000
In5 In 0.50000 0.82832 0.17169 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.24788 0.08213 0.41394 1.00000
Er2 Er 0.75212 0.58606 0.91787 1.00000
Er3 Er 0.74621 0.24644 0.24644 1.00000
Er4 Er 0.25379 0.75356 0.75356 1.00000
Er5 Er 0.24788 0.41394 0.08213 1.00000
Er6 Er 0.75212 0.91787 0.58606 1.00000
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