Pm(Pr2Tm)2
Alexandria ALEXAlex-ID: agm003443232 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_950_spg74
Pr PmTm2
2022-02-18 21:47:47.016491
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003443232).
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 agm003443232
data_agm003443232
_cell_length_a 6.93452
_cell_length_b 9.07743
_cell_length_c 9.07743
_cell_angle_alpha 79.12781
_cell_angle_beta 67.54456
_cell_angle_gamma 67.54456
_cell_volume 487.42616
_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 0.00000 0.50000 0.00000 1.00000
Pm2 Pm 0.50000 0.50000 0.00000 1.00000
Pr1 Pr 0.15109 0.34962 0.34819 1.00000
Pr2 Pr 0.15109 0.84819 0.84962 1.00000
Pr3 Pr 0.23151 0.24038 0.74038 1.00000
Pr4 Pr 0.78773 0.24038 0.74038 1.00000
Pr5 Pr 0.21227 0.75962 0.25962 1.00000
Pr6 Pr 0.84891 0.15181 0.15038 1.00000
Pr7 Pr 0.76849 0.75962 0.25962 1.00000
Pr8 Pr 0.84891 0.65038 0.65181 1.00000
Tm1 Tm 0.28121 0.96879 0.46879 1.00000
Tm2 Tm 0.50000 0.00000 0.00000 1.00000
Tm3 Tm 0.50000 0.50000 0.50000 1.00000
Tm4 Tm 0.71879 0.03121 0.53121 1.00000
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