La2Pr(DyY2)3
Alexandria ALEXAlex-ID: agm004631433 · 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_178_spg12
PrDy5 Dy5Y PrY2 LaY2
2022-06-30 20:32:17.526307
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004631433).
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 agm004631433
data_agm004631433
_cell_length_a 6.25478
_cell_length_b 6.25478
_cell_length_c 11.89765
_cell_angle_alpha 95.01852
_cell_angle_beta 95.01852
_cell_angle_gamma 119.99189
_cell_volume 396.91904
_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 0.33340 0.66660 0.00000 1.00000
La2 La 0.66660 0.33340 0.00000 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.16656 0.83344 0.50000 1.00000
Dy2 Dy 0.83344 0.16656 0.50000 1.00000
Dy3 Dy 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.91464 0.58164 0.74493 1.00000
Y2 Y 0.75242 0.75242 0.25506 1.00000
Y3 Y 0.08536 0.41836 0.25507 1.00000
Y4 Y 0.58164 0.91464 0.74493 1.00000
Y5 Y 0.24758 0.24758 0.74494 1.00000
Y6 Y 0.41836 0.08536 0.25507 1.00000
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