Nd(Y4Th)2
Alexandria ALEXAlex-ID: agm005856901 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_317_spg12
Nd2Y7 NdY8 Y2Th
2023-10-01 21:14:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005856901).
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 agm005856901
data_agm005856901
_cell_length_a 6.67592
_cell_length_b 6.61679
_cell_length_c 9.08157
_cell_angle_alpha 111.36437
_cell_angle_beta 97.99354
_cell_angle_gamma 90.00002
_cell_volume 369.40614
_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 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.59355 0.17153 0.82362 1.00000
Y2 Y 0.40645 0.34791 0.17638 1.00000
Y3 Y 0.82061 0.20317 0.40635 1.00000
Y4 Y 0.17939 0.79683 0.59365 1.00000
Y5 Y 0.59355 0.65209 0.82362 1.00000
Y6 Y 0.40645 0.82847 0.17638 1.00000
Y7 Y 0.09903 0.40994 0.81987 1.00000
Y8 Y 0.90097 0.59006 0.18013 1.00000
Th1 Th 0.33869 0.24845 0.49690 1.00000
Th2 Th 0.66131 0.75155 0.50310 1.00000
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