Sm3HPt8
Alexandria ALEXAlex-ID: agm005998675 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_228_spg160
Sm3H2Pt9 Sm15Pt32 SmPt3
2023-07-10 13:05:49.487351
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998675).
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 agm005998675
data_agm005998675
_cell_length_a 5.46807
_cell_length_b 5.46807
_cell_length_c 9.42901
_cell_angle_alpha 73.14445
_cell_angle_beta 73.14445
_cell_angle_gamma 60.00000
_cell_volume 230.06255
_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 0.61620 0.61620 0.15141 1.00000
Sm2 Sm 0.00829 0.00829 0.97514 1.00000
Sm3 Sm 0.48445 0.48445 0.54664 1.00000
H1 H 0.19128 0.19128 0.42617 1.00000
Pt1 Pt 0.55763 0.05069 0.83404 1.00000
Pt2 Pt 0.05299 0.56599 0.32803 1.00000
Pt3 Pt 0.55763 0.55763 0.83404 1.00000
Pt4 Pt 0.05299 0.05299 0.32803 1.00000
Pt5 Pt 0.80536 0.80536 0.58391 1.00000
Pt6 Pt 0.30649 0.30649 0.08052 1.00000
Pt7 Pt 0.05069 0.55763 0.83404 1.00000
Pt8 Pt 0.56599 0.05299 0.32803 1.00000
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