Nd2Y2ErSc
Alexandria ALEXAlex-ID: agm004738005 · 空间群: Pmma (#51)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D2_280_spg26
NdY2 NdYEr NdYSc6 Nd
2022-07-12 03:29:47.360751
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004738005).
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 agm004738005
data_agm004738005
_cell_length_a 5.57374
_cell_length_b 7.03892
_cell_length_c 9.67482
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 379.57330
_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
Nd1 Nd 0.00000 0.25770 0.81476 1.00000
Nd2 Nd 0.50000 0.25757 0.35301 1.00000
Nd3 Nd 0.00000 0.75770 0.18524 1.00000
Nd4 Nd 0.50000 0.75757 0.64699 1.00000
Y1 Y 0.50000 0.00754 0.99982 1.00000
Y2 Y 0.00000 0.25746 0.15709 1.00000
Y3 Y 0.50000 0.50754 0.00018 1.00000
Y4 Y 0.00000 0.75746 0.84291 1.00000
Er1 Er 0.00000 0.00762 0.50015 1.00000
Er2 Er 0.00000 0.50762 0.49985 1.00000
Sc1 Sc 0.50000 0.25771 0.67920 1.00000
Sc2 Sc 0.50000 0.75771 0.32080 1.00000
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