Pm2Nd5Tm3
Alexandria ALEXAlex-ID: agm003345238 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_151_spg72
Pm2Nd Nd PmTm2
2022-02-04 16:34:05.710501
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003345238).
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 agm003345238
data_agm003345238
_cell_length_a 6.85548
_cell_length_b 12.46475
_cell_length_c 12.46475
_cell_angle_alpha 44.56369
_cell_angle_beta 74.03833
_cell_angle_gamma 74.03832
_cell_volume 713.63970
_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 0.12124 0.78068 0.97684 1.00000
Pm2 Pm 0.87876 0.21932 0.02316 1.00000
Pm3 Pm 0.62124 0.97684 0.78068 1.00000
Pm4 Pm 0.37876 0.02316 0.21932 1.00000
Nd1 Nd 0.25000 0.50000 0.50000 1.00000
Nd2 Nd 0.75000 0.50000 0.50000 1.00000
Nd3 Nd 0.49707 0.75293 0.75293 1.00000
Nd4 Nd 0.00293 0.24707 0.24707 1.00000
Nd5 Nd 0.50293 0.24707 0.24707 1.00000
Nd6 Nd 0.99707 0.75293 0.75293 1.00000
Nd7 Nd 0.12679 0.46887 0.27755 1.00000
Nd8 Nd 0.87321 0.53113 0.72245 1.00000
Nd9 Nd 0.62679 0.27755 0.46887 1.00000
Nd10 Nd 0.37321 0.72245 0.53113 1.00000
Tm1 Tm 0.25000 0.00000 0.00000 1.00000
Tm2 Tm 0.75000 0.00000 0.00000 1.00000
Tm3 Tm 0.38132 0.36491 0.87245 1.00000
Tm4 Tm 0.61868 0.63509 0.12755 1.00000
Tm5 Tm 0.88132 0.87245 0.36491 1.00000
Tm6 Tm 0.11868 0.12755 0.63509 1.00000
