PmNdSm6
Alexandria ALEXAlex-ID: agm005779282 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_227_spg2
NdSm5 PmNd3Sm4 PmSm2
2023-07-25 00:43:05.743464
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779282).
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 agm005779282
data_agm005779282
_cell_length_a 6.53340
_cell_length_b 6.53340
_cell_length_c 9.74305
_cell_angle_alpha 87.71389
_cell_angle_beta 137.44231
_cell_angle_gamma 87.76620
_cell_volume 279.61086
_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 0.50000 0.00000 0.50000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.44633 0.48438 0.29132 1.00000
Sm2 Sm 0.80695 0.84499 0.29132 1.00000
Sm3 Sm 0.19305 0.15501 0.70868 1.00000
Sm4 Sm 0.55367 0.51562 0.70868 1.00000
Sm5 Sm 0.84531 0.34731 0.19262 1.00000
Sm6 Sm 0.15469 0.65269 0.80738 1.00000
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