Er(TiSn)6
Alexandria ALEXAlex-ID: agm024407391 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C6_78_spg12
Er11Sn10 Ti6Sn5 ErSn2
2024-09-25 06:19:11.466463
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024407391).
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 agm024407391
data_agm024407391
_cell_length_a 7.45459
_cell_length_b 7.45459
_cell_length_c 7.45459
_cell_angle_alpha 134.58049
_cell_angle_beta 99.42863
_cell_angle_gamma 97.71643
_cell_volume 272.14568
_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 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.00000 0.00000 0.50000 1.00000
Ti2 Ti 0.00000 0.50000 0.00000 1.00000
Ti3 Ti 0.50000 0.00000 0.00000 1.00000
Ti4 Ti 0.50000 0.50000 0.50000 1.00000
Ti5 Ti 0.25341 0.50000 0.75341 1.00000
Ti6 Ti 0.74659 0.50000 0.24659 1.00000
Sn1 Sn 0.66784 0.66784 0.00000 1.00000
Sn2 Sn 0.33216 0.33216 0.00000 1.00000
Sn3 Sn 0.68470 0.00000 0.68470 1.00000
Sn4 Sn 0.31530 0.00000 0.31530 1.00000
Sn5 Sn 0.16229 0.66229 0.50000 1.00000
Sn6 Sn 0.83771 0.33771 0.50000 1.00000
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