Ce5NdIn6
Alexandria ALEXAlex-ID: agm006115879 · 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
AB5C6_84_spg12
NdIn CeIn
2023-08-29 01:29:10.255090
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115879).
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 agm006115879
data_agm006115879
_cell_length_a 5.83820
_cell_length_b 6.79606
_cell_length_c 9.01824
_cell_angle_alpha 67.87941
_cell_angle_beta 87.90395
_cell_angle_gamma 90.00446
_cell_volume 331.21869
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.64822 0.17079 0.65847 1.00000
Ce2 Ce 0.34424 0.33298 0.33403 1.00000
Ce3 Ce 0.00000 0.50000 0.00000 1.00000
Ce4 Ce 0.65576 0.66702 0.66597 1.00000
Ce5 Ce 0.35178 0.82921 0.34153 1.00000
In1 In 0.84602 0.58255 0.33624 1.00000
In2 In 0.84602 0.08124 0.33625 1.00000
In3 In 0.50001 0.75185 0.00001 1.00000
In4 In 0.49999 0.24815 0.99999 1.00000
In5 In 0.15398 0.91876 0.66375 1.00000
In6 In 0.15398 0.41745 0.66376 1.00000
获取直接链接