LaNd2(YBi2)3
Alexandria ALEXAlex-ID: agm036610306 · 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_125_spg2
LaNd3Bi4 LaBi YBi
2024-12-12 09:52:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036610306).
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 agm036610306
data_agm036610306
_cell_length_a 10.19154
_cell_length_b 10.19154
_cell_length_c 9.10900
_cell_angle_alpha 77.27562
_cell_angle_beta 102.72438
_cell_angle_gamma 154.05530
_cell_volume 403.22241
_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 0.50000 0.50000 0.50000 1.00000
Nd1 Nd 0.83281 0.16719 0.16585 1.00000
Nd2 Nd 0.16719 0.83281 0.83415 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.83367 0.16633 0.66727 1.00000
Y3 Y 0.16633 0.83367 0.33273 1.00000
Bi1 Bi 0.33021 0.66979 0.42034 1.00000
Bi2 Bi 0.66486 0.33514 0.08777 1.00000
Bi3 Bi 0.66979 0.33021 0.57966 1.00000
Bi4 Bi 0.99853 0.00147 0.75749 1.00000
Bi5 Bi 0.00147 0.99853 0.24251 1.00000
Bi6 Bi 0.33514 0.66486 0.91223 1.00000
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