LaPm(YBi2)2
Alexandria ALEXAlex-ID: agm045649226 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_74_spg74
PmY3Bi4 Pm3YBi4 LaBi
2025-01-25 08:50:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045649226).
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 agm045649226
data_agm045649226
_cell_length_a 9.12740
_cell_length_b 9.12740
_cell_length_c 9.12740
_cell_angle_alpha 119.96662
_cell_angle_beta 120.02736
_cell_angle_gamma 90.00522
_cell_volume 537.70713
_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 0.00000 0.50000 0.00000 1.00000
La2 La 0.00000 0.00000 0.50000 1.00000
Pm1 Pm 0.50000 0.00000 0.50000 1.00000
Pm2 Pm 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.00000 0.50000 0.50000 1.00000
Y2 Y 0.50000 0.50000 0.00000 1.00000
Y3 Y 0.50000 0.00000 0.00000 1.00000
Y4 Y 0.50000 0.50000 0.50000 1.00000
Bi1 Bi 0.25403 0.25806 0.50403 1.00000
Bi2 Bi 0.25403 0.75000 0.99597 1.00000
Bi3 Bi 0.74597 0.25000 0.00403 1.00000
Bi4 Bi 0.74597 0.74194 0.49597 1.00000
Bi5 Bi 0.25612 0.74793 0.50818 1.00000
Bi6 Bi 0.73975 0.74793 0.99182 1.00000
Bi7 Bi 0.26025 0.25207 0.00818 1.00000
Bi8 Bi 0.74388 0.25207 0.49182 1.00000
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