Ac6Nd2Dy3
Alexandria ALEXAlex-ID: agm005606822 · 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
A2B3C6_250_spg12
Nd3Dy5 Ac Nd
2023-06-12 17:07:40.398420
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606822).
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 agm005606822
data_agm005606822
_cell_length_a 6.63153
_cell_length_b 6.61730
_cell_length_c 12.11238
_cell_angle_alpha 84.95782
_cell_angle_beta 79.89800
_cell_angle_gamma 59.92886
_cell_volume 452.85306
_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 0.41371 0.66780 0.75110 1.00000
Ac2 Ac 0.74570 0.00000 0.74788 1.00000
Ac3 Ac 0.08151 0.33220 0.75110 1.00000
Ac4 Ac 0.25430 0.00000 0.25212 1.00000
Ac5 Ac 0.58629 0.33220 0.24890 1.00000
Ac6 Ac 0.91849 0.66780 0.24890 1.00000
Nd1 Nd 0.16888 0.66223 0.50000 1.00000
Nd2 Nd 0.83112 0.33777 0.50000 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Dy2 Dy 0.33406 0.33188 0.00000 1.00000
Dy3 Dy 0.66594 0.66812 0.00000 1.00000
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