Li2Nd(TlCd)2
Alexandria ALEXAlex-ID: agm004548635 · 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
AB2C2D2_76_spg12
Nd3(TlCd2)2 Nd3Tl5 NdTl3 Li4TlCd3
2022-06-22 05:38:07.558862
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004548635).
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
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# CIF generated by HEAS from Alexandria entry agm004548635
data_agm004548635
_cell_length_a 4.81263
_cell_length_b 5.02751
_cell_length_c 8.00440
_cell_angle_alpha 103.03554
_cell_angle_beta 90.00000
_cell_angle_gamma 118.59588
_cell_volume 164.33972
_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 0.13260 0.26520 0.43357 1.00000
Li2 Li 0.86740 0.73480 0.56643 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.71742 0.43484 0.19536 1.00000
Tl2 Tl 0.28258 0.56516 0.80464 1.00000
Cd1 Cd 0.58133 0.16266 0.69128 1.00000
Cd2 Cd 0.41867 0.83734 0.30872 1.00000
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