Nd(CuCl2)4
Alexandria ALEXAlex-ID: agm097577845 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_640_spg1
Cu3Cl4 Cu NdCl3
2025-06-21 00:03:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097577845).
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 agm097577845
data_agm097577845
_cell_length_a 4.71130
_cell_length_b 9.24509
_cell_length_c 8.90117
_cell_angle_alpha 64.69780
_cell_angle_beta 95.63844
_cell_angle_gamma 92.63154
_cell_volume 348.81029
_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 0.75170 0.20505 0.99241 1.00000
Cu1 Cu 0.11441 0.80476 0.04516 1.00000
Cu2 Cu 0.88337 0.48329 0.13818 1.00000
Cu3 Cu 0.16721 0.74987 0.38879 1.00000
Cu4 Cu 0.54141 0.64373 0.66972 1.00000
Cl1 Cl 0.26335 0.37608 0.97473 1.00000
Cl2 Cl 0.24271 0.58100 0.27713 1.00000
Cl3 Cl 0.27252 0.85309 0.56519 1.00000
Cl4 Cl 0.20727 0.06208 0.88365 1.00000
Cl5 Cl 0.75489 0.88406 0.21328 1.00000
Cl6 Cl 0.80537 0.22839 0.28972 1.00000
Cl7 Cl 0.71958 0.43321 0.65999 1.00000
Cl8 Cl 0.77621 0.69545 0.90201 1.00000
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