Nd4Dy2In
Alexandria ALEXAlex-ID: agm005999937 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_2695_spg43
Nd3Dy5 Nd5DyIn2 Nd
2023-10-01 16:15:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999937).
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
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# CIF generated by HEAS from Alexandria entry agm005999937
data_agm005999937
_cell_length_a 6.72552
_cell_length_b 6.72782
_cell_length_c 12.32886
_cell_angle_alpha 97.00612
_cell_angle_beta 96.87745
_cell_angle_gamma 123.81937
_cell_volume 447.93807
_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
In1 In 0.02125 0.53011 0.50151 1.00000
In2 In 0.78046 0.77161 0.00181 1.00000
Nd1 Nd 0.04084 0.70200 0.79210 1.00000
Nd2 Nd 0.67314 0.18950 0.92359 1.00000
Nd3 Nd 0.91447 0.25139 0.20847 1.00000
Nd4 Nd 0.43960 0.42208 0.42347 1.00000
Nd5 Nd 0.98760 0.02570 0.57554 1.00000
Nd6 Nd 0.27583 0.73807 0.07563 1.00000
Nd7 Nd 0.95158 0.79083 0.29192 1.00000
Nd8 Nd 0.50104 0.66471 0.70806 1.00000
Dy1 Dy 0.52441 0.93471 0.36723 1.00000
Dy2 Dy 0.54807 0.15505 0.63189 1.00000
Dy3 Dy 0.18703 0.27579 0.86708 1.00000
Dy4 Dy 0.40469 0.29847 0.13168 1.00000
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