Tb7NdY3
Alexandria ALEXAlex-ID: agm005962292 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C7_250_spg10
Tb5Y Tb5Nd3 NdY2
2023-08-12 23:05:02.428658
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962292).
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 agm005962292
data_agm005962292
_cell_length_a 5.58329
_cell_length_b 9.93320
_cell_length_c 8.97307
_cell_angle_alpha 105.81061
_cell_angle_beta 128.47200
_cell_angle_gamma 89.99749
_cell_volume 365.26414
_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
Tb1 Tb 0.91905 0.83140 0.91893 1.00000
Tb2 Tb 0.85439 0.70826 0.35436 1.00000
Tb3 Tb 0.67453 0.35687 0.17461 1.00000
Tb4 Tb 0.32547 0.64313 0.82539 1.00000
Tb5 Tb 0.50000 0.00000 0.50000 1.00000
Tb6 Tb 0.14561 0.29174 0.64564 1.00000
Tb7 Tb 0.08095 0.16860 0.08107 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.27768 0.99910 0.77786 1.00000
Y2 Y 0.00000 0.50000 0.00000 1.00000
Y3 Y 0.72232 0.00090 0.22214 1.00000
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