NdSmPt
Alexandria ALEXAlex-ID: agm005646371 · 空间群: Pbca (#61)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_258_spg61
NdSmPt
2023-06-17 22:10:30.703429
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646371).
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 agm005646371
data_agm005646371
_cell_length_a 7.08933
_cell_length_b 7.30814
_cell_length_c 13.49198
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 699.01659
_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
Nd1 Nd 0.80123 0.39430 0.80056 1.00000
Nd2 Nd 0.19877 0.60570 0.19944 1.00000
Nd3 Nd 0.69877 0.89430 0.19944 1.00000
Nd4 Nd 0.19877 0.10570 0.30056 1.00000
Nd5 Nd 0.30123 0.10570 0.80056 1.00000
Nd6 Nd 0.80123 0.89430 0.69944 1.00000
Nd7 Nd 0.30123 0.60570 0.69944 1.00000
Nd8 Nd 0.69877 0.39430 0.30056 1.00000
Sm1 Sm 0.00365 0.26005 0.53243 1.00000
Sm2 Sm 0.99635 0.73995 0.46757 1.00000
Sm3 Sm 0.49635 0.76005 0.46757 1.00000
Sm4 Sm 0.99635 0.23995 0.03243 1.00000
Sm5 Sm 0.50365 0.23995 0.53243 1.00000
Sm6 Sm 0.00365 0.76005 0.96757 1.00000
Sm7 Sm 0.50365 0.73995 0.96757 1.00000
Sm8 Sm 0.49635 0.26005 0.03243 1.00000
Pt1 Pt 0.72619 0.04471 0.89687 1.00000
Pt2 Pt 0.27381 0.95529 0.10313 1.00000
Pt3 Pt 0.77381 0.54471 0.10313 1.00000
Pt4 Pt 0.27381 0.45529 0.39687 1.00000
Pt5 Pt 0.22619 0.45529 0.89687 1.00000
Pt6 Pt 0.72619 0.54471 0.60313 1.00000
Pt7 Pt 0.22619 0.95529 0.60313 1.00000
Pt8 Pt 0.77381 0.04471 0.39687 1.00000
