Tm4AlFe2
Alexandria ALEXAlex-ID: agm012145490 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_619_spg1
Tm8Al3Fe Tm6AlFe2 TmFe2
2025-02-26 16:21:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012145490).
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 agm012145490
data_agm012145490
_cell_length_a 6.62023
_cell_length_b 6.62023
_cell_length_c 6.90112
_cell_angle_alpha 68.83345
_cell_angle_beta 111.16655
_cell_angle_gamma 146.07173
_cell_volume 156.32721
_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 0.39494 0.60506 0.74472 1.00000
Tm2 Tm 0.60506 0.39494 0.25528 1.00000
Tm3 Tm 0.67568 0.32432 0.79439 1.00000
Tm4 Tm 0.32432 0.67568 0.20561 1.00000
Al1 Al 0.00000 0.00000 0.50000 1.00000
Fe1 Fe 0.93422 0.06578 0.07222 1.00000
Fe2 Fe 0.06578 0.93422 0.92778 1.00000
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