Nd4Y3Tm4
Alexandria ALEXAlex-ID: agm005694035 · 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_105_spg12
NdY2 YTm2 Nd
2023-07-02 03:03:17.892420
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694035).
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 agm005694035
data_agm005694035
_cell_length_a 3.59349
_cell_length_b 5.59882
_cell_length_c 18.30290
_cell_angle_alpha 81.18894
_cell_angle_beta 84.41726
_cell_angle_gamma 89.99773
_cell_volume 362.12860
_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 0.55402 0.55201 0.89512 1.00000
Nd2 Nd 0.44596 0.44797 0.10487 1.00000
Nd3 Nd 0.32162 0.82270 0.35480 1.00000
Nd4 Nd 0.67835 0.17728 0.64520 1.00000
Y1 Y 0.14753 0.64601 0.70757 1.00000
Y2 Y 0.85244 0.35396 0.29243 1.00000
Y3 Y 0.99999 0.99999 1.00000 1.00000
Tm1 Tm 0.09464 0.09220 0.81488 1.00000
Tm2 Tm 0.26457 0.26481 0.47046 1.00000
Tm3 Tm 0.73539 0.73516 0.52955 1.00000
Tm4 Tm 0.90534 0.90778 0.18511 1.00000
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