Pm8NdSm5
Alexandria ALEXAlex-ID: agm006111848 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C8_147_spg82
Pm Pm2Nd PmSm2
2023-08-11 05:14:38.630285
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111848).
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 agm006111848
data_agm006111848
_cell_length_a 8.60865
_cell_length_b 8.60864
_cell_length_c 8.60866
_cell_angle_alpha 111.36971
_cell_angle_beta 105.73769
_cell_angle_gamma 111.36962
_cell_volume 489.56368
_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 0.17097 0.73616 0.07366 1.00000
Pm2 Pm 0.92634 0.09732 0.66250 1.00000
Pm3 Pm 0.72202 0.25307 0.32687 1.00000
Pm4 Pm 0.67313 0.39515 0.92620 1.00000
Pm5 Pm 0.53105 0.60485 0.27797 1.00000
Pm6 Pm 0.56519 0.90268 0.82902 1.00000
Pm7 Pm 0.33750 0.26384 0.43482 1.00000
Pm8 Pm 0.07380 0.74693 0.46895 1.00000
Nd1 Nd 0.25000 0.50000 0.75000 1.00000
Sm1 Sm 0.03501 0.31658 0.13529 1.00000
Sm2 Sm 0.86471 0.89973 0.18129 1.00000
Sm3 Sm 0.81871 0.68342 0.71844 1.00000
Sm4 Sm 0.50000 0.00000 0.50000 1.00000
Sm5 Sm 0.28156 0.10027 0.96499 1.00000
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