Tm2Ga6Tc
Alexandria ALEXAlex-ID: agm005809847 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_545_spg225
Tm4Ga12Tc GaTc2 TmGa2
2023-07-07 05:28:01.145464
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809847).
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 agm005809847
data_agm005809847
_cell_length_a 6.19542
_cell_length_b 6.19542
_cell_length_c 6.19342
_cell_angle_alpha 59.96727
_cell_angle_beta 59.96725
_cell_angle_gamma 59.97169
_cell_volume 167.97700
_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 0.24996 0.24996 0.24963 1.00000
Tm2 Tm 0.75004 0.75004 0.75037 1.00000
Ga1 Ga 0.21565 0.21565 0.78395 1.00000
Ga2 Ga 0.21552 0.78433 0.21565 1.00000
Ga3 Ga 0.78448 0.21567 0.78435 1.00000
Ga4 Ga 0.78433 0.21552 0.21565 1.00000
Ga5 Ga 0.21567 0.78448 0.78435 1.00000
Ga6 Ga 0.78435 0.78435 0.21605 1.00000
Tc1 Tc 0.50000 0.50000 0.50000 1.00000
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