NdTlCl4
Alexandria ALEXAlex-ID: agm005756548 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1453_spg15
Nd2TlCl7 NdTl2Cl5
2023-07-28 00:31:58.335849
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756548).
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 agm005756548
data_agm005756548
_cell_length_a 7.15118
_cell_length_b 8.55430
_cell_length_c 11.08748
_cell_angle_alpha 121.57314
_cell_angle_beta 119.16678
_cell_angle_gamma 64.69908
_cell_volume 490.88378
_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 0.31938 0.06938 0.13876 1.00000
Nd2 Nd 0.68062 0.93062 0.86124 1.00000
Tl1 Tl 0.43252 0.68252 0.36505 1.00000
Tl2 Tl 0.56748 0.31748 0.63495 1.00000
Cl1 Cl 0.92883 0.14507 0.90727 1.00000
Cl2 Cl 0.78865 0.59584 0.64825 1.00000
Cl3 Cl 0.47845 0.76220 0.90727 1.00000
Cl4 Cl 0.35959 0.05241 0.64825 1.00000
Cl5 Cl 0.64041 0.94759 0.35175 1.00000
Cl6 Cl 0.52155 0.23780 0.09273 1.00000
Cl7 Cl 0.21135 0.40416 0.35175 1.00000
Cl8 Cl 0.07117 0.85493 0.09273 1.00000
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