SrNd9Tc2
Alexandria ALEXAlex-ID: agm102007013 · 空间群: P6/mmm (#191)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_8_spg191
Sr Nd Tc
2025-05-21 09:19:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102007013).
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 agm102007013
data_agm102007013
_cell_length_a 10.85070
_cell_length_b 10.85070
_cell_length_c 4.06984
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 414.97607
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.78716 0.21284 0.50000 1.00000
Nd2 Nd 0.50000 0.00000 0.00000 1.00000
Nd3 Nd 0.50000 0.50000 0.00000 1.00000
Nd4 Nd 0.42568 0.21284 0.50000 1.00000
Nd5 Nd 0.21284 0.78716 0.50000 1.00000
Nd6 Nd 0.21284 0.42568 0.50000 1.00000
Nd7 Nd 0.57432 0.78716 0.50000 1.00000
Nd8 Nd 0.00000 0.50000 0.00000 1.00000
Nd9 Nd 0.78716 0.57432 0.50000 1.00000
Tc1 Tc 0.66667 0.33333 0.00000 1.00000
Tc2 Tc 0.33333 0.66667 0.00000 1.00000
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