Tm(MgIn3)2
Alexandria ALEXAlex-ID: agm005678058 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2840_spg15
MgIn6 Mg4In3 TmIn3
2023-07-08 15:30:12.810442
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678058).
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 agm005678058
data_agm005678058
_cell_length_a 6.59587
_cell_length_b 8.81222
_cell_length_c 8.81222
_cell_angle_alpha 85.56757
_cell_angle_beta 70.99328
_cell_angle_gamma 70.99330
_cell_volume 457.63831
_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 0.25000 0.13948 0.86052 1.00000
Tm2 Tm 0.75000 0.86052 0.13948 1.00000
Mg1 Mg 0.12261 0.65580 0.71688 1.00000
Mg2 Mg 0.37739 0.28312 0.34420 1.00000
Mg3 Mg 0.87739 0.34420 0.28312 1.00000
Mg4 Mg 0.62261 0.71688 0.65580 1.00000
In1 In 0.47496 0.63933 0.36261 1.00000
In2 In 0.02504 0.63739 0.36067 1.00000
In3 In 0.52504 0.36067 0.63739 1.00000
In4 In 0.97496 0.36261 0.63933 1.00000
In5 In 0.74506 0.02264 0.45522 1.00000
In6 In 0.75494 0.54478 0.97736 1.00000
In7 In 0.25494 0.97736 0.54478 1.00000
In8 In 0.24506 0.45522 0.02264 1.00000
In9 In 0.29197 0.78272 0.97399 1.00000
In10 In 0.20803 0.02601 0.21728 1.00000
In11 In 0.70803 0.21728 0.02601 1.00000
In12 In 0.79197 0.97399 0.78272 1.00000
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