TmMg5In6
Alexandria ALEXAlex-ID: agm006113604 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
Mg4In3 TmIn3 Tm2MgIn5
2023-08-31 13:25:11.426147
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113604).
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 agm006113604
data_agm006113604
_cell_length_a 4.61595
_cell_length_b 8.59057
_cell_length_c 8.59057
_cell_angle_alpha 109.24924
_cell_angle_beta 105.92730
_cell_angle_gamma 105.92732
_cell_volume 283.17797
_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
Mg1 Mg 0.50000 0.17156 0.82844 1.00000
Mg2 Mg 1.00000 0.33349 0.66651 1.00000
Mg3 Mg 0.50000 0.50000 0.50000 1.00000
Mg4 Mg 0.00000 0.66651 0.33349 1.00000
Mg5 Mg 0.50000 0.82844 0.17156 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
In1 In 0.25025 0.08013 0.41730 1.00000
In2 In 0.74975 0.58270 0.91987 1.00000
In3 In 0.75561 0.25147 0.25147 1.00000
In4 In 0.24439 0.74853 0.74853 1.00000
In5 In 0.25025 0.41730 0.08013 1.00000
In6 In 0.74975 0.91987 0.58270 1.00000
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