Sm5Er2In5
Alexandria ALEXAlex-ID: agm003374723 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_47_spg12
Er2In Sm3ErIn2 SmIn
2022-02-08 19:21:28.435222
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374723).
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 agm003374723
data_agm003374723
_cell_length_a 5.21587
_cell_length_b 6.41992
_cell_length_c 12.07940
_cell_angle_alpha 108.03508
_cell_angle_beta 90.00000
_cell_angle_gamma 113.96792
_cell_volume 347.74612
_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
Sm1 Sm 0.50000 0.00000 0.50000 1.00000
Sm2 Sm 0.65456 0.30911 0.99950 1.00000
Sm3 Sm 0.63535 0.27070 0.27384 1.00000
Sm4 Sm 0.36465 0.72930 0.72616 1.00000
Sm5 Sm 0.34544 0.69089 0.00050 1.00000
Er1 Er 0.07154 0.14309 0.75762 1.00000
Er2 Er 0.92846 0.85691 0.24238 1.00000
In1 In 0.17027 0.34055 0.46127 1.00000
In2 In 0.72815 0.45630 0.76937 1.00000
In3 In 0.27185 0.54370 0.23063 1.00000
In4 In 0.82973 0.65945 0.53873 1.00000
In5 In 0.00000 0.00000 0.00000 1.00000
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