Tb5SmIn6
Alexandria ALEXAlex-ID: agm006115995 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_95_spg12
Tb5SmIn6
2023-08-28 21:14:23.068838
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115995).
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 agm006115995
data_agm006115995
_cell_length_a 5.35721
_cell_length_b 7.54492
_cell_length_c 8.47331
_cell_angle_alpha 89.99980
_cell_angle_beta 71.57140
_cell_angle_gamma 89.99937
_cell_volume 324.92578
_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
Tb1 Tb 0.66543 0.50000 0.66914 1.00000
Tb2 Tb 0.33298 0.00000 0.33404 1.00000
Tb3 Tb 0.00000 0.50000 0.00000 1.00000
Tb4 Tb 0.66702 1.00000 0.66596 1.00000
Tb5 Tb 0.33457 0.50000 0.33086 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
In1 In 0.83209 0.74788 0.33584 1.00000
In2 In 0.83208 0.25212 0.33584 1.00000
In3 In 0.50000 0.25153 1.00000 1.00000
In4 In 0.50000 0.74847 0.00000 1.00000
In5 In 0.16792 0.74788 0.66416 1.00000
In6 In 0.16791 0.25212 0.66416 1.00000
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