Ce2PrSb3
Alexandria ALEXAlex-ID: agm034871259 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_36_spg70
CePrSb2 CeSb
2025-01-06 23:18:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034871259).
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 agm034871259
data_agm034871259
_cell_length_a 14.99535
_cell_length_b 14.29774
_cell_length_c 7.82715
_cell_angle_alpha 79.48938
_cell_angle_beta 69.63248
_cell_angle_gamma 30.87814
_cell_volume 783.45864
_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
Ce1 Ce 0.00044 0.00044 0.49956 1.00000
Ce2 Ce 0.41631 0.41631 0.58369 1.00000
Ce3 Ce 0.83369 0.83369 0.66631 1.00000
Ce4 Ce 0.24956 0.24956 0.75044 1.00000
Ce5 Ce 0.75044 0.75044 0.24956 1.00000
Ce6 Ce 0.66631 0.66631 0.83369 1.00000
Ce7 Ce 0.58369 0.58369 0.41631 1.00000
Ce8 Ce 0.49956 0.49956 0.00044 1.00000
Pr1 Pr 0.91668 0.91668 0.08332 1.00000
Pr2 Pr 0.33332 0.33332 0.16668 1.00000
Pr3 Pr 0.16668 0.16668 0.33332 1.00000
Pr4 Pr 0.08332 0.08332 0.91668 1.00000
Sb1 Sb 0.66739 0.16738 0.82872 1.00000
Sb2 Sb 0.16738 0.66739 0.33652 1.00000
Sb3 Sb 0.58261 0.08262 0.42128 1.00000
Sb4 Sb 0.08262 0.58261 0.91348 1.00000
Sb5 Sb 0.50391 0.99609 0.99609 1.00000
Sb6 Sb 0.99609 0.50391 0.50391 1.00000
Sb7 Sb 0.91348 0.42128 0.08262 1.00000
Sb8 Sb 0.42128 0.91348 0.58261 1.00000
Sb9 Sb 0.33652 0.82872 0.16738 1.00000
Sb10 Sb 0.82872 0.33652 0.66739 1.00000
Sb11 Sb 0.74609 0.25391 0.25391 1.00000
Sb12 Sb 0.25391 0.74609 0.74609 1.00000
