Li2Nd(NiAs)2
Alexandria ALEXAlex-ID: agm024854903 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_166_spg12
Nd7Ni17As12 Li3NdAs2 Li3As Ni
2024-09-04 17:17:28.271901
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024854903).
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 agm024854903
data_agm024854903
_cell_length_a 8.40885
_cell_length_b 8.40885
_cell_length_c 8.40885
_cell_angle_alpha 27.98584
_cell_angle_beta 27.98584
_cell_angle_gamma 27.98584
_cell_volume 115.63680
_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 0.14023 0.14023 0.14023 1.00000
Li2 Li 0.85977 0.85977 0.85977 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.57669 0.57669 0.57669 1.00000
Ni2 Ni 0.42331 0.42331 0.42331 1.00000
As1 As 0.75049 0.75049 0.75049 1.00000
As2 As 0.24951 0.24951 0.24951 1.00000
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