PrSm2Sb3
Alexandria ALEXAlex-ID: agm020344255 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_359_spg14
PrSm3Sb4 Pr3SmSb4
2025-02-03 02:06:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020344255).
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 agm020344255
data_agm020344255
_cell_length_a 6.36179
_cell_length_b 8.98135
_cell_length_c 13.53100
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 773.12634
_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 0.75000 0.87430 0.58220 1.00000
Pr2 Pr 0.75000 0.37430 0.91780 1.00000
Pr3 Pr 0.25000 0.62570 0.08220 1.00000
Pr4 Pr 0.25000 0.12570 0.41780 1.00000
Sm1 Sm 0.75000 0.87507 0.25157 1.00000
Sm2 Sm 0.75000 0.37507 0.24843 1.00000
Sm3 Sm 0.75000 0.87579 0.91618 1.00000
Sm4 Sm 0.75000 0.37579 0.58382 1.00000
Sm5 Sm 0.25000 0.62421 0.41618 1.00000
Sm6 Sm 0.25000 0.12421 0.08382 1.00000
Sm7 Sm 0.25000 0.62493 0.75157 1.00000
Sm8 Sm 0.25000 0.12493 0.74843 1.00000
Sb1 Sb 0.75000 0.62847 0.08449 1.00000
Sb2 Sb 0.75000 0.12847 0.41551 1.00000
Sb3 Sb 0.75000 0.62173 0.41504 1.00000
Sb4 Sb 0.75000 0.12173 0.08496 1.00000
Sb5 Sb 0.75000 0.62509 0.75048 1.00000
Sb6 Sb 0.75000 0.12509 0.74952 1.00000
Sb7 Sb 0.25000 0.87491 0.25048 1.00000
Sb8 Sb 0.25000 0.37491 0.24952 1.00000
Sb9 Sb 0.25000 0.87827 0.91504 1.00000
Sb10 Sb 0.25000 0.37827 0.58496 1.00000
Sb11 Sb 0.25000 0.87153 0.58449 1.00000
Sb12 Sb 0.25000 0.37153 0.91551 1.00000
