Tm2MnNi7P3
Alexandria ALEXAlex-ID: agm019928892 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D7_19_spg119
Mn3Ni5 TmNi5 Tm8Ni18P11 Tm(Ni2P)2
2024-09-30 12:26:18.923957
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019928892).
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 agm019928892
data_agm019928892
_cell_length_a 12.47626
_cell_length_b 12.47626
_cell_length_c 12.47626
_cell_angle_alpha 162.34806
_cell_angle_beta 162.34806
_cell_angle_gamma 25.06438
_cell_volume 178.51828
_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
Tm1 Tm 0.08798 0.58798 0.50000 1.00000
Tm2 Tm 0.41202 0.91202 0.50000 1.00000
Mn1 Mn 0.25000 0.75000 0.50000 1.00000
Ni1 Ni 0.81869 0.81869 0.00000 1.00000
Ni2 Ni 0.31928 0.31928 0.00000 1.00000
Ni3 Ni 0.68072 0.68072 0.00000 1.00000
Ni4 Ni 0.18130 0.18130 0.00000 1.00000
Ni5 Ni 0.95891 0.45891 0.50000 1.00000
Ni6 Ni 0.54109 0.04109 0.50000 1.00000
Ni7 Ni 0.75000 0.25000 0.50000 1.00000
P1 P 0.86741 0.36741 0.50000 1.00000
P2 P 0.63259 0.13259 0.50000 1.00000
P3 P 0.00000 0.00000 0.00000 1.00000
获取直接链接