La2Pr(NdTe2)3
Alexandria ALEXAlex-ID: agm029352037 · 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
AB2C3D6_201_spg12
La3PrTe4 PrTe NdTe
2024-12-12 08:46:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm029352037).
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 agm029352037
data_agm029352037
_cell_length_a 10.12063
_cell_length_b 10.12063
_cell_length_c 9.06034
_cell_angle_alpha 77.22296
_cell_angle_beta 102.77704
_cell_angle_gamma 154.08203
_cell_volume 395.04206
_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
La1 La 0.83493 0.16507 0.16813 1.00000
La2 La 0.16507 0.83493 0.83187 1.00000
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.16674 0.83326 0.33382 1.00000
Nd3 Nd 0.83326 0.16674 0.66618 1.00000
Te1 Te 0.33310 0.66690 0.91343 1.00000
Te2 Te 0.66646 0.33354 0.57999 1.00000
Te3 Te 0.66690 0.33310 0.08657 1.00000
Te4 Te 0.99816 0.00184 0.74736 1.00000
Te5 Te 0.00184 0.99816 0.25264 1.00000
Te6 Te 0.33354 0.66646 0.42001 1.00000
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