Sm2Ge3PdPt12
Alexandria ALEXAlex-ID: agm004491985 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_101_spg166
SmGePt5 GePdPt GePt2 SmPt5
2022-06-20 02:41:06.276918
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004491985).
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 agm004491985
data_agm004491985
_cell_length_a 7.77090
_cell_length_b 7.77090
_cell_length_c 7.77090
_cell_angle_alpha 64.79468
_cell_angle_beta 64.79468
_cell_angle_gamma 64.79468
_cell_volume 366.62092
_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
Sm1 Sm 0.61297 0.61297 0.61297 1.00000
Sm2 Sm 0.38703 0.38703 0.38703 1.00000
Ge1 Ge 0.50000 0.00000 0.00000 1.00000
Ge2 Ge 0.00000 0.50000 0.00000 1.00000
Ge3 Ge 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.36389 0.36389 0.89325 1.00000
Pt2 Pt 0.86218 0.86218 0.38095 1.00000
Pt3 Pt 0.38095 0.86218 0.86218 1.00000
Pt4 Pt 0.89325 0.36389 0.36389 1.00000
Pt5 Pt 0.86218 0.38095 0.86218 1.00000
Pt6 Pt 0.36389 0.89325 0.36389 1.00000
Pt7 Pt 0.63611 0.63611 0.10675 1.00000
Pt8 Pt 0.13782 0.13782 0.61905 1.00000
Pt9 Pt 0.61905 0.13782 0.13782 1.00000
Pt10 Pt 0.10675 0.63611 0.63611 1.00000
Pt11 Pt 0.13782 0.61905 0.13782 1.00000
Pt12 Pt 0.63611 0.10675 0.63611 1.00000
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