Rb4Sr3Zn4
Alexandria ALEXAlex-ID: agm009654749 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_55_spg71
SrZn SrZn2 Rb
2024-06-06 14:54:43.811601
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009654749).
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}
}
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# CIF generated by HEAS from Alexandria entry agm009654749
data_agm009654749
_cell_length_a 4.26257
_cell_length_b 4.25998
_cell_length_c 28.25172
_cell_angle_alpha 84.95385
_cell_angle_beta 94.57223
_cell_angle_gamma 90.00453
_cell_volume 509.37974
_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 0.06996 0.61231 0.06734 1.00000
Rb2 Rb 0.84231 0.78438 0.63470 1.00000
Rb3 Rb 0.42770 0.26177 0.79120 1.00000
Rb4 Rb 0.19899 0.44041 0.35819 1.00000
Sr1 Sr 0.50404 0.18792 0.93465 1.00000
Sr2 Sr 0.76386 0.86215 0.49118 1.00000
Sr3 Sr 0.13604 0.52705 0.21266 1.00000
Zn1 Zn 0.61175 0.05469 0.16454 1.00000
Zn2 Zn 0.66015 0.99885 0.26081 1.00000
Zn3 Zn 0.29172 0.33193 0.54383 1.00000
Zn4 Zn 0.97588 0.71743 0.88209 1.00000
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