La2Nd2Y5
Alexandria ALEXAlex-ID: agm009504368 · 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
A2B2C5_312_spg12
La3Nd5 NdY2 LaY2
2025-01-25 09:49:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009504368).
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 agm009504368
data_agm009504368
_cell_length_a 9.69449
_cell_length_b 9.69449
_cell_length_c 9.02599
_cell_angle_alpha 76.69516
_cell_angle_beta 103.30484
_cell_angle_gamma 158.18536
_cell_volume 306.44961
_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
La1 La 0.33301 0.66699 0.49604 1.00000
La2 La 0.66699 0.33301 0.50396 1.00000
Nd1 Nd 0.92620 0.07380 0.83368 1.00000
Nd2 Nd 0.07380 0.92620 0.16632 1.00000
Y1 Y 0.40664 0.59336 0.16495 1.00000
Y2 Y 0.59336 0.40664 0.83505 1.00000
Y3 Y 0.25974 0.74026 0.83801 1.00000
Y4 Y 0.74026 0.25974 0.16199 1.00000
Y5 Y 0.00000 0.00000 0.50000 1.00000
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