LaPmNd2Sm5
Alexandria ALEXAlex-ID: agm005164422 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_205_spg140
PmNd3Sm4 La3NdSm4 PmSm2 NdSm5
2023-01-08 05:08:16.037233
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005164422).
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 agm005164422
data_agm005164422
_cell_length_a 8.87913
_cell_length_b 8.87913
_cell_length_c 10.13802
_cell_angle_alpha 115.97077
_cell_angle_beta 115.97077
_cell_angle_gamma 90.00000
_cell_volume 627.54999
_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
La1 La 0.25000 0.25000 0.50000 1.00000
La2 La 0.75000 0.75000 0.50000 1.00000
Pm1 Pm 0.25000 0.75000 0.50000 1.00000
Pm2 Pm 0.75000 0.25000 0.50000 1.00000
Nd1 Nd 0.11838 0.38162 0.00000 1.00000
Nd2 Nd 0.61838 0.11838 1.00000 1.00000
Nd3 Nd 0.38162 0.88162 0.00000 1.00000
Nd4 Nd 0.88162 0.61838 0.00000 1.00000
Sm1 Sm 0.93030 0.43030 0.27382 1.00000
Sm2 Sm 0.65649 0.15649 0.72618 1.00000
Sm3 Sm 0.06970 0.56970 0.72618 1.00000
Sm4 Sm 0.15649 0.06970 0.72618 1.00000
Sm5 Sm 0.56970 0.65649 0.72618 1.00000
Sm6 Sm 0.84351 0.93030 0.27382 1.00000
Sm7 Sm 0.43030 0.34351 0.27382 1.00000
Sm8 Sm 0.34351 0.84351 0.27382 1.00000
Sm9 Sm 0.50000 0.50000 0.00000 1.00000
Sm10 Sm 0.00000 0.00000 0.00000 1.00000
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