Tm(TiIn2)2
Alexandria ALEXAlex-ID: agm041340323 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_31_spg87
Ti2In TmIn3
2025-05-29 16:43:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041340323).
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 agm041340323
data_agm041340323
_cell_length_a 5.90337
_cell_length_b 5.90337
_cell_length_c 5.90337
_cell_angle_alpha 103.74537
_cell_angle_beta 103.74537
_cell_angle_gamma 121.65379
_cell_volume 152.91077
_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
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.75000 0.25000 0.50000 1.00000
Ti2 Ti 0.25000 0.75000 0.50000 1.00000
In1 In 0.29704 0.70296 0.00000 1.00000
In2 In 0.70296 0.29704 0.00000 1.00000
In3 In 0.70296 0.70296 0.40593 1.00000
In4 In 0.29704 0.29704 0.59407 1.00000
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