Tm3TlTc
Alexandria ALEXAlex-ID: agm005802430 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_3515_spg2
Tm4TlTc Tm5Tl3 TmTc2
2023-07-06 01:38:23.805334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802430).
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
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# CIF generated by HEAS from Alexandria entry agm005802430
data_agm005802430
_cell_length_a 5.80926
_cell_length_b 5.80926
_cell_length_c 8.72402
_cell_angle_alpha 102.19481
_cell_angle_beta 102.19047
_cell_angle_gamma 111.44855
_cell_volume 254.02573
_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 0.29951 0.79952 0.09903 1.00000
Tm2 Tm 0.70049 0.20048 0.90097 1.00000
Tm3 Tm 0.07435 0.19770 0.27205 1.00000
Tm4 Tm 0.92565 0.80230 0.72795 1.00000
Tm5 Tm 0.69767 0.57442 0.27209 1.00000
Tm6 Tm 0.30233 0.42558 0.72791 1.00000
Tl1 Tl 0.71626 0.21626 0.50000 1.00000
Tl2 Tl 0.28374 0.78374 0.50000 1.00000
Tc1 Tc 0.25001 0.25001 0.00000 1.00000
Tc2 Tc 0.74999 0.74999 0.00000 1.00000
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