SmZrPt
Alexandria ALEXAlex-ID: agm005677223 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7266_spg189
Sm5Pt3 Zr2Pt Zr
2023-06-18 16:13:46.717518
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677223).
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 agm005677223
data_agm005677223
_cell_length_a 7.69389
_cell_length_b 8.48109
_cell_length_c 8.48110
_cell_angle_alpha 68.03171
_cell_angle_beta 63.02566
_cell_angle_gamma 63.02576
_cell_volume 429.56445
_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 0.14802 0.05095 0.55095 1.00000
Sm2 Sm 0.74992 0.94905 0.44905 1.00000
Sm3 Sm 0.33936 0.74998 0.24997 1.00000
Sm4 Sm 0.33931 0.25003 0.75002 1.00000
Sm5 Sm 0.74987 0.44914 0.94913 1.00000
Sm6 Sm 0.14814 0.55087 0.05086 1.00000
Zr1 Zr 0.02041 0.00000 1.00000 1.00000
Zr2 Zr 0.02041 0.50000 0.50000 1.00000
Zr3 Zr 0.76144 0.36946 0.36951 1.00000
Zr4 Zr 0.50041 0.63054 0.63048 1.00000
Zr5 Zr 0.50041 0.13049 0.13054 1.00000
Zr6 Zr 0.76144 0.86952 0.86946 1.00000
Pt1 Pt 0.71307 0.25012 0.75015 1.00000
Pt2 Pt 0.71334 0.74985 0.24988 1.00000
Pt3 Pt 0.11053 0.16301 0.16297 1.00000
Pt4 Pt 0.43651 0.83699 0.83703 1.00000
Pt5 Pt 0.43651 0.33703 0.33699 1.00000
Pt6 Pt 0.11053 0.66297 0.66301 1.00000
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