PmThNi
Alexandria ALEXAlex-ID: agm005689476 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_11051_spg43
ThNi Pm
2023-06-18 00:44:48.340119
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689476).
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 agm005689476
data_agm005689476
_cell_length_a 5.73443
_cell_length_b 6.52899
_cell_length_c 10.60187
_cell_angle_alpha 83.17911
_cell_angle_beta 74.30929
_cell_angle_gamma 63.95026
_cell_volume 343.32219
_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 0.09993 0.78795 0.57179 1.00000
Pm2 Pm 0.63788 0.71205 0.07179 1.00000
Pm3 Pm 0.45967 0.21205 0.42821 1.00000
Pm4 Pm 0.42172 0.28795 0.92821 1.00000
Th1 Th 0.24758 0.87007 0.84657 1.00000
Th2 Th 0.86765 0.62993 0.34657 1.00000
Th3 Th 0.96422 0.12993 0.15343 1.00000
Th4 Th 0.84415 0.37007 0.65343 1.00000
Ni1 Ni 0.57013 0.82323 0.59668 1.00000
Ni2 Ni 0.14336 0.67677 0.09668 1.00000
Ni3 Ni 0.99004 0.17677 0.40332 1.00000
Ni4 Ni 0.91681 0.32323 0.90332 1.00000
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