MgReB14
Alexandria ALEXAlex-ID: agm005754550 · 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
MgB7 ReB2 B
2023-07-18 14:08:23.889679
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754550).
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 agm005754550
data_agm005754550
_cell_length_a 5.91274
_cell_length_b 7.28961
_cell_length_c 7.28961
_cell_angle_alpha 68.35719
_cell_angle_beta 66.07383
_cell_angle_gamma 66.07384
_cell_volume 254.54364
_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
Mg1 Mg 0.25000 0.39727 0.10273 1.00000
Mg2 Mg 0.75000 0.60273 0.89727 1.00000
Re1 Re 0.50000 0.00000 0.50000 1.00000
Re2 Re 0.00000 0.00000 0.50000 1.00000
B1 B 0.66799 0.37020 0.29383 1.00000
B2 B 0.33201 0.62980 0.70617 1.00000
B3 B 0.16799 0.79383 0.87020 1.00000
B4 B 0.83201 0.20617 0.12980 1.00000
B5 B 0.13019 0.25322 0.48640 1.00000
B6 B 0.86981 0.74678 0.51360 1.00000
B7 B 0.63019 0.98640 0.75322 1.00000
B8 B 0.36981 0.01360 0.24678 1.00000
B9 B 0.08532 0.08595 0.74342 1.00000
B10 B 0.91468 0.91405 0.25658 1.00000
B11 B 0.58532 0.24342 0.58595 1.00000
B12 B 0.41468 0.75658 0.41405 1.00000
B13 B 0.72355 0.60046 0.27127 1.00000
B14 B 0.59528 0.39954 0.72873 1.00000
B15 B 0.22355 0.77127 0.10046 1.00000
B16 B 0.09528 0.22873 0.89954 1.00000
B17 B 0.27645 0.39954 0.72873 1.00000
B18 B 0.40472 0.60046 0.27127 1.00000
B19 B 0.77645 0.22873 0.89954 1.00000
B20 B 0.90472 0.77127 0.10046 1.00000
B21 B 0.32492 0.96399 0.87313 1.00000
B22 B 0.16204 0.03601 0.12687 1.00000
B23 B 0.82492 0.37313 0.46399 1.00000
B24 B 0.66204 0.62687 0.53601 1.00000
B25 B 0.67508 0.03601 0.12687 1.00000
B26 B 0.83796 0.96399 0.87313 1.00000
B27 B 0.17508 0.62687 0.53601 1.00000
B28 B 0.33796 0.37313 0.46399 1.00000
