Th2Ga5Ni4
Alexandria ALEXAlex-ID: agm003365802 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_154_spg69
ThGa2Ni ThGa2Ni3 ThGa3Ni2
2022-02-05 10:41:11.650073
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003365802).
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 agm003365802
data_agm003365802
_cell_length_a 5.26390
_cell_length_b 5.31315
_cell_length_c 8.16746
_cell_angle_alpha 80.81454
_cell_angle_beta 71.20105
_cell_angle_gamma 60.30616
_cell_volume 187.84573
_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 0.86675 0.00000 0.26650 1.00000
Th2 Th 0.13325 0.00000 0.73350 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Ga2 Ga 0.00000 0.50000 0.00000 1.00000
Ga3 Ga 0.50000 0.50000 0.00000 1.00000
Ga4 Ga 0.25000 0.50000 0.50000 1.00000
Ga5 Ga 0.75000 0.50000 0.50000 1.00000
Ni1 Ni 0.48113 0.30217 0.73557 1.00000
Ni2 Ni 0.51887 0.69783 0.26443 1.00000
Ni3 Ni 0.21670 0.30217 0.26443 1.00000
Ni4 Ni 0.78330 0.69783 0.73557 1.00000
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