Cs8Na4Nd3DyCl24
Alexandria ALEXAlex-ID: agm011044201 · 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
AB3C4D8E24_7_spg166
Cs2NaNdCl6 Cs2NaDyCl6
2025-02-01 02:02:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011044201).
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 agm011044201
data_agm011044201
_cell_length_a 25.91389
_cell_length_b 25.91389
_cell_length_c 25.91389
_cell_angle_alpha 17.30196
_cell_angle_beta 17.30196
_cell_angle_gamma 17.30196
_cell_volume 1343.13536
_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
Cs1 Cs 0.81232 0.81232 0.81232 1.00000
Cs2 Cs 0.06189 0.06189 0.06189 1.00000
Cs3 Cs 0.31288 0.31288 0.31288 1.00000
Cs4 Cs 0.56263 0.56263 0.56263 1.00000
Cs5 Cs 0.43737 0.43737 0.43737 1.00000
Cs6 Cs 0.68712 0.68712 0.68712 1.00000
Cs7 Cs 0.93811 0.93811 0.93811 1.00000
Cs8 Cs 0.18768 0.18768 0.18768 1.00000
Na1 Na 0.12459 0.12459 0.12459 1.00000
Na2 Na 0.37419 0.37419 0.37419 1.00000
Na3 Na 0.62581 0.62581 0.62581 1.00000
Na4 Na 0.87541 0.87541 0.87541 1.00000
Nd1 Nd 0.25054 0.25054 0.25054 1.00000
Nd2 Nd 0.50000 0.50000 0.50000 1.00000
Nd3 Nd 0.74946 0.74946 0.74946 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.80921 0.31431 0.31431 1.00000
Cl2 Cl 0.05894 0.56364 0.56364 1.00000
Cl3 Cl 0.30119 0.81962 0.81962 1.00000
Cl4 Cl 0.55959 0.06496 0.06496 1.00000
Cl5 Cl 0.93504 0.44041 0.93504 1.00000
Cl6 Cl 0.18038 0.69881 0.18038 1.00000
Cl7 Cl 0.43636 0.94106 0.43636 1.00000
Cl8 Cl 0.68569 0.19079 0.68569 1.00000
Cl9 Cl 0.31431 0.31431 0.80921 1.00000
Cl10 Cl 0.56364 0.56364 0.05894 1.00000
Cl11 Cl 0.81962 0.81962 0.30119 1.00000
Cl12 Cl 0.06496 0.06496 0.55959 1.00000
Cl13 Cl 0.44041 0.93504 0.93504 1.00000
Cl14 Cl 0.69881 0.18038 0.18038 1.00000
Cl15 Cl 0.94106 0.43636 0.43636 1.00000
Cl16 Cl 0.19079 0.68569 0.68569 1.00000
Cl17 Cl 0.31431 0.80921 0.31431 1.00000
Cl18 Cl 0.56364 0.05894 0.56364 1.00000
Cl19 Cl 0.81962 0.30119 0.81962 1.00000
Cl20 Cl 0.06496 0.55959 0.06496 1.00000
Cl21 Cl 0.93504 0.93504 0.44041 1.00000
Cl22 Cl 0.18038 0.18038 0.69881 1.00000
Cl23 Cl 0.43636 0.43636 0.94106 1.00000
Cl24 Cl 0.68569 0.68569 0.19079 1.00000
