Th3In3Ge2Pt9
Alexandria ALEXAlex-ID: agm009407927 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3D9_14_spg189
Th(GePt)2 ThPt2 In2Pt ThPt3
2024-04-07 00:27:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009407927).
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 agm009407927
data_agm009407927
_cell_length_a 10.10261
_cell_length_b 10.10261
_cell_length_c 3.81949
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 337.60125
_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 0.40453 0.00000 0.50000 1.00000
Th2 Th 0.00000 0.40453 0.50000 1.00000
Th3 Th 0.59547 0.59547 0.50000 1.00000
In1 In 0.77325 0.00000 0.50000 1.00000
In2 In 0.00000 0.77325 0.50000 1.00000
In3 In 0.22675 0.22675 0.50000 1.00000
Ge1 Ge 0.33333 0.66667 0.50000 1.00000
Ge2 Ge 0.66667 0.33333 0.50000 1.00000
Pt1 Pt 0.83326 0.52243 0.00000 1.00000
Pt2 Pt 0.47757 0.31083 0.00000 1.00000
Pt3 Pt 0.68917 0.16674 0.00000 1.00000
Pt4 Pt 0.31083 0.47757 0.00000 1.00000
Pt5 Pt 0.16674 0.68917 0.00000 1.00000
Pt6 Pt 0.52243 0.83326 0.00000 1.00000
Pt7 Pt 0.18649 0.00000 0.00000 1.00000
Pt8 Pt 0.00000 0.18649 0.00000 1.00000
Pt9 Pt 0.81351 0.81351 0.00000 1.00000
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