Tm3Si4Tc7
Alexandria ALEXAlex-ID: agm010013445 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
Tm(SiTc2)2 Tm2Si4Tc3 TmTc2
2024-04-06 15:05:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010013445).
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 agm010013445
data_agm010013445
_cell_length_a 7.87394
_cell_length_b 7.87394
_cell_length_c 8.65710
_cell_angle_alpha 56.33717
_cell_angle_beta 56.33717
_cell_angle_gamma 31.87748
_cell_volume 231.61310
_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 0.71410 0.71410 0.29482 1.00000
Tm2 Tm 0.28590 0.28590 0.70518 1.00000
Tm3 Tm 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.35083 0.35083 0.28189 1.00000
Si2 Si 0.64917 0.64917 0.71811 1.00000
Si3 Si 0.12845 0.12845 0.15310 1.00000
Si4 Si 0.87155 0.87155 0.84690 1.00000
Tc1 Tc 0.67431 0.67431 0.98987 1.00000
Tc2 Tc 0.49645 0.49645 0.68565 1.00000
Tc3 Tc 0.15286 0.15286 0.55916 1.00000
Tc4 Tc 0.32569 0.32569 0.01013 1.00000
Tc5 Tc 0.84714 0.84714 0.44084 1.00000
Tc6 Tc 0.00000 0.00000 0.50000 1.00000
Tc7 Tc 0.50355 0.50355 0.31435 1.00000
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