Nd4TcPd
Alexandria ALEXAlex-ID: agm005809880 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1313_spg15
Nd7Pd3 Nd Tc
2023-07-31 13:13:26.726024
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809880).
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 agm005809880
data_agm005809880
_cell_length_a 6.53360
_cell_length_b 8.09841
_cell_length_c 8.17108
_cell_angle_alpha 110.42194
_cell_angle_beta 108.24868
_cell_angle_gamma 107.93996
_cell_volume 339.88057
_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 0.78156 0.63251 0.76917 1.00000
Nd2 Nd 0.09226 0.94778 0.29474 1.00000
Nd3 Nd 0.71934 0.23101 0.36583 1.00000
Nd4 Nd 0.40801 0.70400 0.05006 1.00000
Nd5 Nd 0.59199 0.29600 0.94994 1.00000
Nd6 Nd 0.28066 0.76899 0.63417 1.00000
Nd7 Nd 0.90774 0.05222 0.70526 1.00000
Nd8 Nd 0.21844 0.36749 0.23083 1.00000
Tc1 Tc 0.24978 0.00330 0.99673 1.00000
Tc2 Tc 0.75022 0.99670 0.00327 1.00000
Pd1 Pd 0.75012 0.63448 0.36692 1.00000
Pd2 Pd 0.24988 0.36552 0.63308 1.00000
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