Pm2Mg2Pt15
Alexandria ALEXAlex-ID: agm003300902 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C15_1_spg166
PmPt5 MgPt3 Pm2Pt7
2022-01-18 00:56:54.095617
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003300902).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003300902
data_agm003300902
_cell_length_a 7.02263
_cell_length_b 7.02263
_cell_length_c 7.02263
_cell_angle_alpha 82.55767
_cell_angle_beta 82.55767
_cell_angle_gamma 82.55767
_cell_volume 338.28021
_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
Pm1 Pm 0.35136 0.35136 0.35136 1.00000
Pm2 Pm 0.64864 0.64864 0.64864 1.00000
Mg1 Mg 0.10152 0.10152 0.10152 1.00000
Mg2 Mg 0.89848 0.89848 0.89848 1.00000
Pt1 Pt 0.50000 0.00000 0.00000 1.00000
Pt2 Pt 0.00000 0.00000 0.50000 1.00000
Pt3 Pt 0.00000 0.50000 0.00000 1.00000
Pt4 Pt 0.00000 0.68852 0.31148 1.00000
Pt5 Pt 0.68852 0.31148 0.00000 1.00000
Pt6 Pt 0.31148 0.00000 0.68852 1.00000
Pt7 Pt 0.31148 0.68852 0.00000 1.00000
Pt8 Pt 0.68852 0.00000 0.31148 1.00000
Pt9 Pt 0.00000 0.31148 0.68852 1.00000
Pt10 Pt 0.15810 0.65645 0.65645 1.00000
Pt11 Pt 0.65645 0.65645 0.15810 1.00000
Pt12 Pt 0.65645 0.15810 0.65645 1.00000
Pt13 Pt 0.84190 0.34355 0.34355 1.00000
Pt14 Pt 0.34355 0.34355 0.84190 1.00000
Pt15 Pt 0.34355 0.84190 0.34355 1.00000
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