Tm2UFe3
Alexandria ALEXAlex-ID: agm014493089 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4717_spg14
Tm2UFe3
2025-04-14 02:55:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014493089).
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 agm014493089
data_agm014493089
_cell_length_a 5.75544
_cell_length_b 11.24285
_cell_length_c 7.23405
_cell_angle_alpha 90.00000
_cell_angle_beta 109.75069
_cell_angle_gamma 90.00000
_cell_volume 440.56017
_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 0.76996 0.28852 0.87730 1.00000
Tm2 Tm 0.76996 0.21148 0.37730 1.00000
Tm3 Tm 0.66496 0.57960 0.88635 1.00000
Tm4 Tm 0.66496 0.92040 0.38635 1.00000
Tm5 Tm 0.33504 0.07960 0.61365 1.00000
Tm6 Tm 0.33504 0.42040 0.11365 1.00000
Tm7 Tm 0.23004 0.78852 0.62270 1.00000
Tm8 Tm 0.23004 0.71148 0.12270 1.00000
U1 U 0.80873 0.88882 0.85283 1.00000
U2 U 0.80873 0.61118 0.35283 1.00000
U3 U 0.19127 0.38882 0.64717 1.00000
U4 U 0.19127 0.11118 0.14717 1.00000
Fe1 Fe 0.90176 0.44199 0.25414 1.00000
Fe2 Fe 0.90176 0.05801 0.75414 1.00000
Fe3 Fe 0.66943 0.05795 0.02937 1.00000
Fe4 Fe 0.66943 0.44205 0.52937 1.00000
Fe5 Fe 0.74846 0.76427 0.15690 1.00000
Fe6 Fe 0.74846 0.73573 0.65690 1.00000
Fe7 Fe 0.25154 0.26427 0.34310 1.00000
Fe8 Fe 0.25154 0.23573 0.84310 1.00000
Fe9 Fe 0.33057 0.55795 0.47063 1.00000
Fe10 Fe 0.33057 0.94205 0.97063 1.00000
Fe11 Fe 0.09824 0.94199 0.24586 1.00000
Fe12 Fe 0.09824 0.55801 0.74586 1.00000
