Nd2Y3ErTm6
Alexandria ALEXAlex-ID: agm004632166 · 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
AB2C3D6_178_spg12
YTm2 ErTm5 NdY2 Nd
2022-06-30 17:48:06.178263
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004632166).
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 agm004632166
data_agm004632166
_cell_length_a 6.13814
_cell_length_b 6.13814
_cell_length_c 11.71723
_cell_angle_alpha 95.00398
_cell_angle_beta 95.00398
_cell_angle_gamma 119.94874
_cell_volume 376.66272
_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 0.33338 0.66662 0.00000 1.00000
Nd2 Nd 0.66662 0.33338 0.00000 1.00000
Y1 Y 0.16647 0.83353 0.50000 1.00000
Y2 Y 0.83353 0.16647 0.50000 1.00000
Y3 Y 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.91573 0.58307 0.74901 1.00000
Tm2 Tm 0.75192 0.75192 0.25123 1.00000
Tm3 Tm 0.08427 0.41693 0.25099 1.00000
Tm4 Tm 0.58307 0.91573 0.74901 1.00000
Tm5 Tm 0.24808 0.24808 0.74877 1.00000
Tm6 Tm 0.41693 0.08427 0.25099 1.00000
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