LiNi(SnH4)2
Alexandria ALEXAlex-ID: agm098273000 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_459_spg2
LiNiH3 H2 SnH2
2025-04-29 18:41:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098273000).
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 agm098273000
data_agm098273000
_cell_length_a 4.90863
_cell_length_b 5.82189
_cell_length_c 5.54790
_cell_angle_alpha 109.98694
_cell_angle_beta 108.29327
_cell_angle_gamma 105.76692
_cell_volume 128.06952
_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
Li1 Li 0.50000 0.00000 0.50000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.78528 0.38551 0.15668 1.00000
Sn2 Sn 0.21472 0.61449 0.84332 1.00000
H1 H 0.01372 0.07407 0.31123 1.00000
H2 H 0.98628 0.92593 0.68877 1.00000
H3 H 0.99421 0.09780 0.75907 1.00000
H4 H 0.00579 0.90220 0.24093 1.00000
H5 H 0.39931 0.18123 0.17630 1.00000
H6 H 0.60069 0.81877 0.82370 1.00000
H7 H 0.49045 0.29181 0.78750 1.00000
H8 H 0.50955 0.70819 0.21250 1.00000
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