SmTm2In3
Alexandria ALEXAlex-ID: agm017272307 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5_spg15
SmTm3In4 SmTmIn2
2024-12-19 04:22:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017272307).
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 agm017272307
data_agm017272307
_cell_length_a 9.23314
_cell_length_b 9.23314
_cell_length_c 9.23314
_cell_angle_alpha 146.35723
_cell_angle_beta 132.58652
_cell_angle_gamma 59.38873
_cell_volume 318.22627
_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 0.58083 0.83083 0.75000 1.00000
Sm2 Sm 0.41917 0.16917 0.25000 1.00000
Tm1 Tm 0.91594 0.16594 0.75000 1.00000
Tm2 Tm 0.25389 0.50389 0.75000 1.00000
Tm3 Tm 0.08406 0.83406 0.25000 1.00000
Tm4 Tm 0.74611 0.49611 0.25000 1.00000
In1 In 0.67753 0.66412 0.01341 1.00000
In2 In 0.84929 0.33588 0.51341 1.00000
In3 In 0.00000 0.00000 0.00000 1.00000
In4 In 0.32247 0.33588 0.98659 1.00000
In5 In 0.50000 0.00000 0.50000 1.00000
In6 In 0.15071 0.66412 0.48659 1.00000
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