Th3(ZnGa2)2
Alexandria ALEXAlex-ID: agm005609596 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_277_spg12
ThZnGa Th2ZnGa3
2023-06-29 07:28:14.508654
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609596).
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 agm005609596
data_agm005609596
_cell_length_a 4.29197
_cell_length_b 6.01245
_cell_length_c 8.55043
_cell_angle_alpha 101.18526
_cell_angle_beta 90.00000
_cell_angle_gamma 110.91140
_cell_volume 201.62007
_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 0.66354 0.32707 0.66825 1.00000
Th2 Th 0.00000 0.00000 0.00000 1.00000
Th3 Th 0.33646 0.67293 0.33175 1.00000
Zn1 Zn 0.61085 0.22171 0.27817 1.00000
Zn2 Zn 0.38915 0.77829 0.72183 1.00000
Ga1 Ga 0.71944 0.43889 0.05658 1.00000
Ga2 Ga 0.28056 0.56111 0.94342 1.00000
Ga3 Ga 0.94011 0.88021 0.60942 1.00000
Ga4 Ga 0.05989 0.11979 0.39058 1.00000
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