Pr6Sm2Tm5
Alexandria ALEXAlex-ID: agm005665334 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_66_spg55
Sm2Tm7 PrSm4 Pr
2023-06-20 18:34:40.972196
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665334).
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 agm005665334
data_agm005665334
_cell_length_a 3.64725
_cell_length_b 11.81231
_cell_length_c 20.56806
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 886.12335
_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
Pr1 Pr 0.00000 0.08251 0.36601 1.00000
Pr2 Pr 0.00000 0.91749 0.63399 1.00000
Pr3 Pr 0.00000 0.58251 0.13399 1.00000
Pr4 Pr 0.00000 0.41749 0.86601 1.00000
Pr5 Pr 0.50000 0.32481 0.12905 1.00000
Pr6 Pr 0.50000 0.67519 0.87095 1.00000
Pr7 Pr 0.50000 0.82481 0.37095 1.00000
Pr8 Pr 0.50000 0.17519 0.62905 1.00000
Pr9 Pr 0.00000 0.55796 0.42132 1.00000
Pr10 Pr 0.00000 0.44204 0.57868 1.00000
Pr11 Pr 0.00000 0.05796 0.07868 1.00000
Pr12 Pr 0.00000 0.94204 0.92132 1.00000
Sm1 Sm 0.00000 0.33570 0.28687 1.00000
Sm2 Sm 0.00000 0.66430 0.71313 1.00000
Sm3 Sm 0.00000 0.83570 0.21313 1.00000
Sm4 Sm 0.00000 0.16430 0.78687 1.00000
Tm1 Tm 0.50000 0.30044 0.44423 1.00000
Tm2 Tm 0.50000 0.69956 0.55577 1.00000
Tm3 Tm 0.50000 0.80044 0.05577 1.00000
Tm4 Tm 0.50000 0.19956 0.94423 1.00000
Tm5 Tm 0.50000 0.59553 0.27555 1.00000
Tm6 Tm 0.50000 0.40447 0.72445 1.00000
Tm7 Tm 0.50000 0.09553 0.22445 1.00000
Tm8 Tm 0.50000 0.90447 0.77555 1.00000
Tm9 Tm 0.50000 0.50000 0.00000 1.00000
Tm10 Tm 0.50000 0.00000 0.50000 1.00000
