Pm2Sm2Pt3
Alexandria ALEXAlex-ID: agm003304588 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_98_spg12
Sm5Pt3 Pm5Pt3 SmPt
2022-02-03 20:32:12.077529
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003304588).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm003304588
data_agm003304588
_cell_length_a 4.23570
_cell_length_b 7.15041
_cell_length_c 7.28839
_cell_angle_alpha 100.78565
_cell_angle_beta 89.99288
_cell_angle_gamma 107.24754
_cell_volume 206.73214
_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 0.62683 0.25351 0.89355 1.00000
Pm2 Pm 0.37317 0.74649 0.10645 1.00000
Sm1 Sm 0.86146 0.72212 0.64268 1.00000
Sm2 Sm 0.13854 0.27788 0.35732 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Pt2 Pt 0.75889 0.51815 0.25708 1.00000
Pt3 Pt 0.24111 0.48185 0.74292 1.00000
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