Tm2Fe3Si5
Alexandria ALEXAlex-ID: agm005608524 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_1_spg72
Tm2Fe3Si5
2023-06-25 09:45:29.706482
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608524).
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 agm005608524
data_agm005608524
_cell_length_a 5.34964
_cell_length_b 7.93191
_cell_length_c 7.93191
_cell_angle_alpha 71.55159
_cell_angle_beta 70.29226
_cell_angle_gamma 70.29227
_cell_volume 290.38961
_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 0.14006 0.59000 0.12988 1.00000
Tm2 Tm 0.64006 0.12988 0.59000 1.00000
Tm3 Tm 0.85994 0.41000 0.87012 1.00000
Tm4 Tm 0.35994 0.87012 0.41000 1.00000
Fe1 Fe 0.35409 0.55615 0.73567 1.00000
Fe2 Fe 0.85409 0.73567 0.55615 1.00000
Fe3 Fe 0.64591 0.44385 0.26433 1.00000
Fe4 Fe 0.14591 0.26433 0.44385 1.00000
Fe5 Fe 0.25000 0.00000 0.00000 1.00000
Fe6 Fe 0.75000 0.00000 0.00000 1.00000
Si1 Si 0.40844 0.26405 0.91907 1.00000
Si2 Si 0.90844 0.91907 0.26405 1.00000
Si3 Si 0.59156 0.73595 0.08093 1.00000
Si4 Si 0.09156 0.08093 0.73595 1.00000
Si5 Si 0.45906 0.79094 0.79094 1.00000
Si6 Si 0.54094 0.20906 0.20906 1.00000
Si7 Si 0.75000 0.50000 0.50000 1.00000
Si8 Si 0.25000 0.50000 0.50000 1.00000
Si9 Si 0.04094 0.20906 0.20906 1.00000
Si10 Si 0.95906 0.79094 0.79094 1.00000
