Nd3(YTm)4
Alexandria ALEXAlex-ID: agm005694039 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_55_spg71
NdY2 YTm2 Nd
2023-07-02 02:19:12.862477
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694039).
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 agm005694039
data_agm005694039
_cell_length_a 3.57564
_cell_length_b 5.03574
_cell_length_c 19.90553
_cell_angle_alpha 97.25946
_cell_angle_beta 95.15221
_cell_angle_gamma 90.00663
_cell_volume 354.08578
_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 0.63692 0.63649 0.27405 1.00000
Nd2 Nd 0.36304 0.36353 0.72593 1.00000
Nd3 Nd 0.00001 0.00001 0.99999 1.00000
Y1 Y 0.54646 0.54599 0.09277 1.00000
Y2 Y 0.45354 0.45402 0.90720 1.00000
Y3 Y 0.81702 0.81711 0.63346 1.00000
Y4 Y 0.18294 0.18295 0.36659 1.00000
Tm1 Tm 0.09141 0.09078 0.18257 1.00000
Tm2 Tm 0.27218 0.27222 0.54418 1.00000
Tm3 Tm 0.72776 0.72783 0.45587 1.00000
Tm4 Tm 0.90858 0.90924 0.81739 1.00000
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