PaSn(H4Pt)2
Alexandria ALEXAlex-ID: agm007478488 · 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
ABC2D8_494_spg2
PaH4 PaPt3 SnPt H2
2024-02-10 18:26:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007478488).
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 agm007478488
data_agm007478488
_cell_length_a 4.47655
_cell_length_b 4.32421
_cell_length_c 7.27237
_cell_angle_alpha 90.00303
_cell_angle_beta 101.13882
_cell_angle_gamma 118.86162
_cell_volume 120.25144
_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
Pa1 Pa 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
H1 H 0.46483 0.02576 0.36795 1.00000
H2 H 0.43946 0.21959 0.88150 1.00000
H3 H 0.53517 0.97424 0.63205 1.00000
H4 H 0.56054 0.78041 0.11850 1.00000
H5 H 0.10816 0.55417 0.66025 1.00000
H6 H 0.89184 0.44583 0.33975 1.00000
H7 H 0.53532 0.56065 0.63195 1.00000
H8 H 0.46468 0.43935 0.36805 1.00000
Pt1 Pt 0.75868 0.37919 0.76660 1.00000
Pt2 Pt 0.24132 0.62081 0.23340 1.00000
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