PrTm2Si2Pt7
Alexandria ALEXAlex-ID: agm004591237 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_153_spg12
Tm4SiPt12 Tm3SiPt5 TmSiPt2 PrSiPt3
2022-06-26 05:09:07.003621
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004591237).
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 agm004591237
data_agm004591237
_cell_length_a 4.06127
_cell_length_b 4.06127
_cell_length_c 13.86670
_cell_angle_alpha 83.49799
_cell_angle_beta 83.49799
_cell_angle_gamma 89.26234
_cell_volume 225.78281
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.87861 0.87861 0.35999 1.00000
Tm2 Tm 0.12139 0.12139 0.64001 1.00000
Si1 Si 0.60286 0.60286 0.73669 1.00000
Si2 Si 0.39714 0.39714 0.26331 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
Pt2 Pt 0.36003 0.36003 0.43147 1.00000
Pt3 Pt 0.63997 0.63997 0.56853 1.00000
Pt4 Pt 0.93252 0.43321 0.17039 1.00000
Pt5 Pt 0.43321 0.93252 0.17039 1.00000
Pt6 Pt 0.56679 0.06748 0.82961 1.00000
Pt7 Pt 0.06748 0.56679 0.82961 1.00000
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