NpH6Pt2S
Alexandria ALEXAlex-ID: agm007669488 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_747_spg146
Np(H3Pt)4 Np2HS3 H3Pt NpPt3
2024-03-16 01:01:47.778218
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007669488).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm007669488
data_agm007669488
_cell_length_a 5.02653
_cell_length_b 4.07772
_cell_length_c 7.00974
_cell_angle_alpha 62.12590
_cell_angle_beta 64.48327
_cell_angle_gamma 67.69236
_cell_volume 111.72353
_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
Np1 Np 0.69341 0.51717 0.01402 1.00000
H1 H 0.82031 0.18768 0.36420 1.00000
H2 H 0.49426 0.08741 0.74988 1.00000
H3 H 0.36958 0.39642 0.39793 1.00000
H4 H 0.11497 0.81749 0.59053 1.00000
H5 H 0.45454 0.00364 0.17648 1.00000
H6 H 0.54944 0.58509 0.71708 1.00000
Pt1 Pt 0.78918 0.26222 0.62335 1.00000
Pt2 Pt 0.12437 0.80711 0.35228 1.00000
S1 S 0.08994 0.83576 0.01427 1.00000
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