Li2Ni3P2
Alexandria ALEXAlex-ID: agm003310643 · 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_235_spg12
Li(Ni2P)2 Li5Ni9P7 Li3P
2022-02-03 17:30:46.303338
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003310643).
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 agm003310643
data_agm003310643
_cell_length_a 3.52135
_cell_length_b 4.76482
_cell_length_c 6.19387
_cell_angle_alpha 111.93506
_cell_angle_beta 90.00000
_cell_angle_gamma 111.68572
_cell_volume 88.42219
_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 0.85660 0.71319 0.21786 1.00000
Li2 Li 0.14340 0.28681 0.78214 1.00000
Ni1 Ni 0.50000 0.00000 0.00000 1.00000
Ni2 Ni 0.63376 0.26752 0.43781 1.00000
Ni3 Ni 0.36624 0.73248 0.56219 1.00000
P1 P 0.85515 0.71031 0.77531 1.00000
P2 P 0.14485 0.28969 0.22469 1.00000
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