Pm6Nd5Sm2
Alexandria ALEXAlex-ID: agm005662906 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_66_spg55
PmNd3Sm4 Pm2Nd Nd
2023-06-20 06:22:41.345060
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662906).
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 agm005662906
data_agm005662906
_cell_length_a 3.66707
_cell_length_b 11.90215
_cell_length_c 20.91939
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 913.04824
_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 0.00000 0.08001 0.36710 1.00000
Pm2 Pm 0.00000 0.91999 0.63290 1.00000
Pm3 Pm 0.00000 0.58001 0.13290 1.00000
Pm4 Pm 0.00000 0.41999 0.86710 1.00000
Pm5 Pm 0.50000 0.32288 0.13442 1.00000
Pm6 Pm 0.50000 0.67712 0.86558 1.00000
Pm7 Pm 0.50000 0.82288 0.36558 1.00000
Pm8 Pm 0.50000 0.17712 0.63442 1.00000
Pm9 Pm 0.00000 0.56130 0.42110 1.00000
Pm10 Pm 0.00000 0.43870 0.57890 1.00000
Pm11 Pm 0.00000 0.06130 0.07890 1.00000
Pm12 Pm 0.00000 0.93870 0.92110 1.00000
Nd1 Nd 0.50000 0.30118 0.44677 1.00000
Nd2 Nd 0.50000 0.69882 0.55323 1.00000
Nd3 Nd 0.50000 0.80118 0.05323 1.00000
Nd4 Nd 0.50000 0.19882 0.94677 1.00000
Nd5 Nd 0.50000 0.58548 0.27539 1.00000
Nd6 Nd 0.50000 0.41452 0.72461 1.00000
Nd7 Nd 0.50000 0.08548 0.22461 1.00000
Nd8 Nd 0.50000 0.91452 0.77539 1.00000
Nd9 Nd 0.50000 0.50000 0.00000 1.00000
Nd10 Nd 0.50000 0.00000 0.50000 1.00000
Sm1 Sm 0.00000 0.32822 0.28692 1.00000
Sm2 Sm 0.00000 0.67178 0.71308 1.00000
Sm3 Sm 0.00000 0.82822 0.21308 1.00000
Sm4 Sm 0.00000 0.17178 0.78692 1.00000
