Th2Ge4Pt3Rh
Alexandria ALEXAlex-ID: agm044146790 · Space group: P4mm (#99)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4_122_spg99
Th3Ge6(PtRh2)2 Th(GePt)2
2025-03-04 21:51:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044146790).
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
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# CIF generated by HEAS from Alexandria entry agm044146790
data_agm044146790
_cell_length_a 4.38020
_cell_length_b 4.38020
_cell_length_c 9.98342
_cell_angle_alpha 90.02047
_cell_angle_beta 89.97953
_cell_angle_gamma 90.06177
_cell_volume 191.54361
_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 0.49948 0.50052 0.75093 1.00000
Th2 Th 0.00019 0.99981 0.24772 1.00000
Ge1 Ge 0.50094 0.49906 0.13809 1.00000
Ge2 Ge 0.99850 0.00150 0.86857 1.00000
Ge3 Ge 0.99994 0.50013 0.49587 1.00000
Ge4 Ge 0.49987 0.00006 0.49587 1.00000
Pt1 Pt 0.99975 0.00025 0.62321 1.00000
Pt2 Pt 0.00117 0.50160 0.00028 1.00000
Pt3 Pt 0.49840 0.99883 0.00028 1.00000
Rh1 Rh 0.50005 0.49995 0.38091 1.00000
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