Rb2Pr(AlSb2)2
Alexandria ALEXAlex-ID: agm004564397 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D4_0_spg12
Rb3Al3Sb4 Pr2Sb5 PrSb
2022-06-19 09:49:21.384430
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004564397).
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
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# CIF generated by HEAS from Alexandria entry agm004564397
data_agm004564397
_cell_length_a 4.44737
_cell_length_b 8.83572
_cell_length_c 8.70184
_cell_angle_alpha 107.09778
_cell_angle_beta 104.80569
_cell_angle_gamma 90.00000
_cell_volume 314.93452
_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
Rb1 Rb 0.13303 0.55118 0.26605 1.00000
Rb2 Rb 0.86697 0.44882 0.73395 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.66852 0.97307 0.33704 1.00000
Al2 Al 0.33148 0.02693 0.66296 1.00000
Sb1 Sb 0.20449 0.17147 0.40897 1.00000
Sb2 Sb 0.79551 0.82853 0.59103 1.00000
Sb3 Sb 0.51688 0.75352 0.03377 1.00000
Sb4 Sb 0.48312 0.24648 0.96623 1.00000
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