SrReB14
Alexandria ALEXAlex-ID: agm005754949 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_1_spg74
ReB2 B SrB6
2023-07-18 14:12:54.704915
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754949).
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 agm005754949
data_agm005754949
_cell_length_a 5.88076
_cell_length_b 7.46965
_cell_length_c 7.46965
_cell_angle_alpha 68.45238
_cell_angle_beta 66.81857
_cell_angle_gamma 66.81857
_cell_volume 268.38208
_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
Sr1 Sr 0.25000 0.38538 0.11462 1.00000
Sr2 Sr 0.75000 0.61462 0.88538 1.00000
Re1 Re 0.50000 0.00000 0.50000 1.00000
Re2 Re 0.00000 0.00000 0.50000 1.00000
B1 B 0.66554 0.37325 0.29566 1.00000
B2 B 0.33446 0.62675 0.70434 1.00000
B3 B 0.16554 0.79566 0.87325 1.00000
B4 B 0.83446 0.20434 0.12675 1.00000
B5 B 0.12242 0.24579 0.50937 1.00000
B6 B 0.87758 0.75421 0.49063 1.00000
B7 B 0.62242 0.00937 0.74579 1.00000
B8 B 0.37758 0.99063 0.25421 1.00000
B9 B 0.08598 0.07867 0.74937 1.00000
B10 B 0.91402 0.92133 0.25063 1.00000
B11 B 0.58598 0.24937 0.57867 1.00000
B12 B 0.41402 0.75063 0.42133 1.00000
B13 B 0.72023 0.60226 0.28094 1.00000
B14 B 0.60342 0.39774 0.71906 1.00000
B15 B 0.22023 0.78094 0.10226 1.00000
B16 B 0.10342 0.21906 0.89774 1.00000
B17 B 0.27977 0.39774 0.71906 1.00000
B18 B 0.39658 0.60226 0.28094 1.00000
B19 B 0.77977 0.21906 0.89774 1.00000
B20 B 0.89658 0.78094 0.10226 1.00000
B21 B 0.32504 0.96979 0.87235 1.00000
B22 B 0.16719 0.03021 0.12765 1.00000
B23 B 0.82504 0.37235 0.46979 1.00000
B24 B 0.66719 0.62765 0.53021 1.00000
B25 B 0.67496 0.03021 0.12765 1.00000
B26 B 0.83281 0.96979 0.87235 1.00000
B27 B 0.17496 0.62765 0.53021 1.00000
B28 B 0.33281 0.37235 0.46979 1.00000
