Th(Ga2Fe)4
Alexandria ALEXAlex-ID: agm003672234 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2_spg139
Th(GaFe)6 Ga3Fe ThGa2
2022-04-20 21:28:22.091005
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672234).
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 agm003672234
data_agm003672234
_cell_length_a 5.07444
_cell_length_b 6.72372
_cell_length_c 6.72372
_cell_angle_alpha 81.81350
_cell_angle_beta 67.83014
_cell_angle_gamma 67.83014
_cell_volume 196.74084
_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
Th1 Th 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 1.00000 0.34620 0.65380 1.00000
Ga2 Ga 0.00000 0.65380 0.34620 1.00000
Ga3 Ga 0.34620 0.65380 0.65380 1.00000
Ga4 Ga 0.65380 0.34620 0.34620 1.00000
Ga5 Ga 0.50000 0.77469 0.22531 1.00000
Ga6 Ga 0.50000 0.22531 0.77469 1.00000
Ga7 Ga 0.27469 0.22531 0.22531 1.00000
Ga8 Ga 0.72531 0.77469 0.77469 1.00000
Fe1 Fe 0.00000 0.00000 0.50000 1.00000
Fe2 Fe 0.50000 0.00000 0.50000 1.00000
Fe3 Fe 0.00000 0.50000 0.00000 1.00000
Fe4 Fe 0.50000 0.50000 0.00000 1.00000
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