Nd4DySc2
Alexandria ALEXAlex-ID: agm005990035 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_3263_spg11
Nd3Dy5 Nd Sc
2023-10-16 09:59:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990035).
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 agm005990035
data_agm005990035
_cell_length_a 8.47570
_cell_length_b 9.20579
_cell_length_c 16.50147
_cell_angle_alpha 91.45400
_cell_angle_beta 99.05111
_cell_angle_gamma 157.06557
_cell_volume 444.34715
_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 0.28201 0.14932 0.44906 1.00000
Nd2 Nd 0.95584 0.27614 0.01228 1.00000
Nd3 Nd 0.60774 0.04578 0.40202 1.00000
Nd4 Nd 0.53880 0.47554 0.11412 1.00000
Nd5 Nd 0.46120 0.52446 0.88588 1.00000
Nd6 Nd 0.39226 0.95422 0.59798 1.00000
Nd7 Nd 0.04416 0.72386 0.98772 1.00000
Nd8 Nd 0.71799 0.85068 0.55094 1.00000
Dy1 Dy 0.10911 0.28179 0.26564 1.00000
Dy2 Dy 0.89089 0.71821 0.73436 1.00000
Sc1 Sc 0.43172 0.68086 0.71474 1.00000
Sc2 Sc 0.90878 0.38802 0.81960 1.00000
Sc3 Sc 0.56828 0.31914 0.28526 1.00000
Sc4 Sc 0.09122 0.61198 0.18040 1.00000
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