Th2MgPdPt5
Alexandria ALEXAlex-ID: agm005175983 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_231_spg140
ThPd2Pt ThPt2 ThPt3 MgPt
2023-01-16 06:15:23.921560
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005175983).
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 agm005175983
data_agm005175983
_cell_length_a 8.67227
_cell_length_b 8.67227
_cell_length_c 8.08123
_cell_angle_alpha 122.45036
_cell_angle_beta 122.45036
_cell_angle_gamma 90.00000
_cell_volume 395.84235
_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 0.13364 0.36636 0.00000 1.00000
Th2 Th 0.63364 0.13364 0.00000 1.00000
Th3 Th 0.36636 0.86636 1.00000 1.00000
Th4 Th 0.86636 0.63364 0.00000 1.00000
Mg1 Mg 0.25000 0.25000 0.50000 1.00000
Mg2 Mg 0.75000 0.75000 0.50000 1.00000
Pd1 Pd 0.25000 0.75000 0.50000 1.00000
Pd2 Pd 0.75000 0.25000 0.50000 1.00000
Pt1 Pt 0.95087 0.45087 0.28315 1.00000
Pt2 Pt 0.66772 0.16772 0.71685 1.00000
Pt3 Pt 0.04913 0.54913 0.71685 1.00000
Pt4 Pt 0.16772 0.04913 0.71685 1.00000
Pt5 Pt 0.54913 0.66772 0.71685 1.00000
Pt6 Pt 0.83228 0.95087 0.28315 1.00000
Pt7 Pt 0.45087 0.33228 0.28315 1.00000
Pt8 Pt 0.33228 0.83228 0.28315 1.00000
Pt9 Pt 0.50000 0.50000 0.00000 1.00000
Pt10 Pt 0.00000 0.00000 0.00000 1.00000
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