Ac2Nd5Y2
Alexandria ALEXAlex-ID: agm005565249 · 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
A2B2C5_494_spg12
NdY2 Ac Nd
2023-06-03 12:39:59.331695
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005565249).
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 agm005565249
data_agm005565249
_cell_length_a 3.67187
_cell_length_b 10.20968
_cell_length_c 9.36858
_cell_angle_alpha 76.65891
_cell_angle_beta 101.30148
_cell_angle_gamma 90.00011
_cell_volume 334.73442
_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
Ac1 Ac 0.48629 0.68378 0.97259 1.00000
Ac2 Ac 0.51371 0.31622 0.02741 1.00000
Nd1 Nd 0.66340 0.79467 0.32682 1.00000
Nd2 Nd 0.33660 0.20533 0.67318 1.00000
Nd3 Nd 0.83782 0.52461 0.67568 1.00000
Nd4 Nd 0.16218 0.47539 0.32432 1.00000
Nd5 Nd 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.82766 0.90472 0.65532 1.00000
Y2 Y 0.17234 0.09528 0.34468 1.00000
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