Pm3YPd
Alexandria ALEXAlex-ID: agm005867516 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_389_spg8
YPd Pm
2023-07-06 05:13:58.932013
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005867516).
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 agm005867516
data_agm005867516
_cell_length_a 3.78700
_cell_length_b 6.52252
_cell_length_c 12.82994
_cell_angle_alpha 86.47009
_cell_angle_beta 81.51304
_cell_angle_gamma 73.12399
_cell_volume 299.88221
_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
Pm1 Pm 0.45604 0.93504 0.15287 1.00000
Pm2 Pm 0.75731 0.72903 0.75635 1.00000
Pm3 Pm 0.10427 0.16965 0.62180 1.00000
Pm4 Pm 0.99029 0.10168 0.91774 1.00000
Pm5 Pm 0.78682 0.04007 0.38630 1.00000
Pm6 Pm 0.42638 0.62837 0.51887 1.00000
Y1 Y 0.10860 0.50148 0.28131 1.00000
Y2 Y 0.22281 0.55920 0.99518 1.00000
Pd1 Pd 0.76630 0.33475 0.13266 1.00000
Pd2 Pd 0.44194 0.33759 0.77852 1.00000
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