Li6NdPt4
Alexandria ALEXAlex-ID: agm003661430 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_181_spg121
Li2Pt NdPt
2022-04-08 11:40:13.242558
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661430).
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 agm003661430
data_agm003661430
_cell_length_a 6.71893
_cell_length_b 6.71893
_cell_length_c 6.71893
_cell_angle_alpha 86.19515
_cell_angle_beta 122.22051
_cell_angle_gamma 122.22051
_cell_volume 206.78414
_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 0.00000 0.88730 0.50994 1.00000
Li2 Li 0.00000 0.50994 0.88730 1.00000
Li3 Li 0.62264 0.11270 0.11270 1.00000
Li4 Li 0.50000 0.00000 0.50000 1.00000
Li5 Li 0.37736 0.49006 0.49006 1.00000
Li6 Li 0.50000 0.50000 0.00000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.00000 0.24449 0.61284 1.00000
Pt2 Pt 0.63165 0.38716 0.38716 1.00000
Pt3 Pt 0.00000 0.61284 0.24449 1.00000
Pt4 Pt 0.36835 0.75551 0.75551 1.00000
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