Tb3Mg3Fe
Alexandria ALEXAlex-ID: agm012536629 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_545_spg12
TbMg TbFe3 TbMg3
2024-05-29 19:16:02.852178
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012536629).
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 agm012536629
data_agm012536629
_cell_length_a 6.88317
_cell_length_b 6.88317
_cell_length_c 15.94797
_cell_angle_alpha 73.86013
_cell_angle_beta 73.86013
_cell_angle_gamma 29.91866
_cell_volume 360.92454
_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
Tb1 Tb 0.14267 0.14267 0.89883 1.00000
Tb2 Tb 0.85733 0.85733 0.10117 1.00000
Tb3 Tb 0.39059 0.39059 0.27970 1.00000
Tb4 Tb 0.60941 0.60941 0.72030 1.00000
Tb5 Tb 0.31309 0.31309 0.58061 1.00000
Tb6 Tb 0.68691 0.68691 0.41939 1.00000
Mg1 Mg 0.42396 0.42396 0.90940 1.00000
Mg2 Mg 0.57604 0.57604 0.09060 1.00000
Mg3 Mg 0.03020 0.03020 0.58273 1.00000
Mg4 Mg 0.96980 0.96980 0.41727 1.00000
Mg5 Mg 0.14948 0.14948 0.23807 1.00000
Mg6 Mg 0.85052 0.85052 0.76193 1.00000
Fe1 Fe 0.23101 0.23101 0.04672 1.00000
Fe2 Fe 0.76899 0.76899 0.95328 1.00000
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