Nd2Y2Pd5
Alexandria ALEXAlex-ID: agm009716396 · 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_478_spg12
Y3Pd5 Y3Pd4 NdPd
2024-04-06 14:58:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009716396).
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
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# CIF generated by HEAS from Alexandria entry agm009716396
data_agm009716396
_cell_length_a 5.67040
_cell_length_b 5.67040
_cell_length_c 10.70531
_cell_angle_alpha 67.20085
_cell_angle_beta 67.20085
_cell_angle_gamma 40.59074
_cell_volume 203.95426
_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 0.72351 0.72351 0.85153 1.00000
Nd2 Nd 0.27649 0.27649 0.14847 1.00000
Y1 Y 0.09315 0.09315 0.61230 1.00000
Y2 Y 0.90685 0.90685 0.38770 1.00000
Pd1 Pd 0.63205 0.63205 0.38683 1.00000
Pd2 Pd 0.36795 0.36795 0.61317 1.00000
Pd3 Pd 0.55225 0.55225 0.16614 1.00000
Pd4 Pd 0.44775 0.44775 0.83386 1.00000
Pd5 Pd 0.00000 0.00000 0.00000 1.00000
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