ErSn6Rh
Alexandria ALEXAlex-ID: agm003773201 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_239_spg12
Sn4Rh Er7Sn23Rh6 Sn
2022-04-20 06:30:06.468998
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003773201).
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 agm003773201
data_agm003773201
_cell_length_a 6.97795
_cell_length_b 6.31192
_cell_length_c 6.31338
_cell_angle_alpha 60.00762
_cell_angle_beta 74.58559
_cell_angle_gamma 57.87828
_cell_volume 203.96588
_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
Sn1 Sn 0.74846 0.58145 0.55360 1.00000
Sn2 Sn 0.74846 0.13504 0.44640 1.00000
Sn3 Sn 0.25154 0.86496 0.55360 1.00000
Sn4 Sn 0.25154 0.41855 0.44640 1.00000
Sn5 Sn 0.72171 0.73069 0.00000 1.00000
Sn6 Sn 0.27829 0.26931 1.00000 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
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