Tm5Mg2Tl
Alexandria ALEXAlex-ID: agm003474530 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_62_spg140
Tm2Mg Tm5Tl3 TmMgTl
2022-02-21 03:02:57.832775
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003474530).
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 agm003474530
data_agm003474530
_cell_length_a 8.29128
_cell_length_b 8.29128
_cell_length_c 8.74109
_cell_angle_alpha 118.31182
_cell_angle_beta 118.31182
_cell_angle_gamma 90.00000
_cell_volume 445.70098
_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 0.49400 0.68898 0.68298 1.00000
Tm2 Tm 0.81102 0.00600 0.31702 1.00000
Tm3 Tm 0.00000 0.00000 0.00000 1.00000
Tm4 Tm 0.50000 0.50000 0.00000 1.00000
Tm5 Tm 0.18898 0.99400 0.68298 1.00000
Tm6 Tm 0.68898 0.18898 0.68298 1.00000
Tm7 Tm 0.99400 0.49400 0.68298 1.00000
Tm8 Tm 0.31102 0.81102 0.31702 1.00000
Tm9 Tm 0.00600 0.50600 0.31702 1.00000
Tm10 Tm 0.50600 0.31102 0.31702 1.00000
Mg1 Mg 0.13864 0.36136 1.00000 1.00000
Mg2 Mg 0.63864 0.13864 0.00000 1.00000
Mg3 Mg 0.36136 0.86136 1.00000 1.00000
Mg4 Mg 0.86136 0.63864 0.00000 1.00000
Tl1 Tl 0.75000 0.75000 0.50000 1.00000
Tl2 Tl 0.25000 0.25000 0.50000 1.00000
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