Pr3NdPd2
Alexandria ALEXAlex-ID: agm003423391 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1432_spg72
NdPd Pr7Pd3 Pr
2022-02-13 21:21:59.436180
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003423391).
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 agm003423391
data_agm003423391
_cell_length_a 7.18450
_cell_length_b 7.37776
_cell_length_c 8.79289
_cell_angle_alpha 114.80491
_cell_angle_beta 114.11319
_cell_angle_gamma 90.00000
_cell_volume 377.80218
_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
Pr1 Pr 0.50000 0.25000 0.00000 1.00000
Pr2 Pr 0.50000 0.75000 0.00000 1.00000
Pr3 Pr 0.76602 0.01602 0.53204 1.00000
Pr4 Pr 0.23398 0.48398 0.46796 1.00000
Pr5 Pr 0.23398 0.98398 0.46796 1.00000
Pr6 Pr 0.76602 0.51602 0.53204 1.00000
Nd1 Nd 0.00000 0.50000 0.00000 1.00000
Nd2 Nd 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.56785 0.36036 0.72072 1.00000
Pd2 Pd 0.84713 0.13964 0.27928 1.00000
Pd3 Pd 0.15287 0.86036 0.72072 1.00000
Pd4 Pd 0.43215 0.63964 0.27928 1.00000
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