Pm2NdSn2
Alexandria ALEXAlex-ID: agm005878747 · 空间群: P6_3/mmc (#194)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_107_spg194
Pm3(NdSn2)2 Pm2(NdSn)3 Pm5Sn3
2023-08-04 09:47:35.131467
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005878747).
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 agm005878747
data_agm005878747
_cell_length_a 5.19652
_cell_length_b 5.19652
_cell_length_c 13.17343
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 308.07421
_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 0.66667 0.33333 0.75000 1.00000
Pm2 Pm 0.00000 0.00000 0.00000 1.00000
Pm3 Pm 0.00000 0.00000 0.50000 1.00000
Pm4 Pm 0.33333 0.66667 0.25000 1.00000
Nd1 Nd 0.00000 0.00000 0.25000 1.00000
Nd2 Nd 0.00000 0.00000 0.75000 1.00000
Sn1 Sn 0.33333 0.66667 0.62812 1.00000
Sn2 Sn 0.66667 0.33333 0.12812 1.00000
Sn3 Sn 0.66667 0.33333 0.37188 1.00000
Sn4 Sn 0.33333 0.66667 0.87188 1.00000
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