AcTbNd3Dy
Alexandria ALEXAlex-ID: agm005027751 · 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
ABCD3_468_spg12
TbNd3Dy4 Tb5Nd3 Ac Nd
2022-07-06 07:55:43.986393
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005027751).
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 agm005027751
data_agm005027751
_cell_length_a 5.87879
_cell_length_b 10.82768
_cell_length_c 7.12174
_cell_angle_alpha 91.12419
_cell_angle_beta 90.00000
_cell_angle_gamma 105.75179
_cell_volume 436.21080
_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 0.35265 0.70529 0.96709 1.00000
Ac2 Ac 0.64735 0.29471 0.03291 1.00000
Tb1 Tb 0.05773 0.11545 0.29490 1.00000
Tb2 Tb 0.94227 0.88455 0.70510 1.00000
Nd1 Nd 0.84066 0.68132 0.25734 1.00000
Nd2 Nd 0.78105 0.56210 0.72521 1.00000
Nd3 Nd 0.48334 0.96668 0.25947 1.00000
Nd4 Nd 0.21895 0.43790 0.27479 1.00000
Nd5 Nd 0.51666 0.03332 0.74053 1.00000
Nd6 Nd 0.15934 0.31868 0.74266 1.00000
Dy1 Dy 0.64252 0.28503 0.48775 1.00000
Dy2 Dy 0.35748 0.71497 0.51225 1.00000
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