SmEr5In6
Alexandria ALEXAlex-ID: agm006115963 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
SmErIn2 ErIn
2023-08-28 21:15:45.921912
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115963).
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 agm006115963
data_agm006115963
_cell_length_a 5.30415
_cell_length_b 7.48084
_cell_length_c 8.38968
_cell_angle_alpha 90.00010
_cell_angle_beta 71.57206
_cell_angle_gamma 90.00032
_cell_volume 315.82835
_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 0.83130 0.74613 0.33749 1.00000
In2 In 0.83122 0.25387 0.33749 1.00000
In3 In 0.50009 0.25296 1.00000 1.00000
In4 In 0.49991 0.74704 0.00000 1.00000
In5 In 0.16878 0.74613 0.66251 1.00000
In6 In 0.16870 0.25387 0.66251 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.66451 0.50000 0.67098 1.00000
Er2 Er 0.33258 0.00000 0.33485 1.00000
Er3 Er 0.00000 0.50000 0.00000 1.00000
Er4 Er 0.66742 1.00000 0.66515 1.00000
Er5 Er 0.33549 0.50000 0.32902 1.00000
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