MgBeB14
Alexandria ALEXAlex-ID: agm005754278 · 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
MgBeB14
2023-07-18 14:08:58.728208
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754278).
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 agm005754278
data_agm005754278
_cell_length_a 5.77848
_cell_length_b 7.12068
_cell_length_c 7.12068
_cell_angle_alpha 69.42148
_cell_angle_beta 66.06165
_cell_angle_gamma 66.06165
_cell_volume 238.55412
_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 0.38663 0.11337 1.00000
Mg2 Mg 0.75000 0.61337 0.88663 1.00000
Be1 Be 0.50000 0.00000 0.50000 1.00000
Be2 Be 0.00000 0.00000 0.50000 1.00000
B1 B 0.66643 0.36113 0.30601 1.00000
B2 B 0.33357 0.63887 0.69399 1.00000
B3 B 0.16643 0.80601 0.86113 1.00000
B4 B 0.83357 0.19399 0.13887 1.00000
B5 B 0.15615 0.21513 0.47257 1.00000
B6 B 0.84385 0.78487 0.52743 1.00000
B7 B 0.65615 0.97257 0.71513 1.00000
B8 B 0.34385 0.02743 0.28487 1.00000
B9 B 0.08841 0.08385 0.73934 1.00000
B10 B 0.91159 0.91615 0.26066 1.00000
B11 B 0.58841 0.23934 0.58385 1.00000
B12 B 0.41159 0.76066 0.41615 1.00000
B13 B 0.72290 0.59896 0.27493 1.00000
B14 B 0.59679 0.40104 0.72507 1.00000
B15 B 0.22290 0.77493 0.09896 1.00000
B16 B 0.09679 0.22507 0.90104 1.00000
B17 B 0.27710 0.40104 0.72507 1.00000
B18 B 0.40321 0.59896 0.27493 1.00000
B19 B 0.77710 0.22507 0.90104 1.00000
B20 B 0.90321 0.77493 0.09896 1.00000
B21 B 0.33366 0.96559 0.87197 1.00000
B22 B 0.17121 0.03441 0.12803 1.00000
B23 B 0.83366 0.37197 0.46559 1.00000
B24 B 0.67121 0.62803 0.53441 1.00000
B25 B 0.66634 0.03441 0.12803 1.00000
B26 B 0.82879 0.96559 0.87197 1.00000
B27 B 0.16634 0.62803 0.53441 1.00000
B28 B 0.32879 0.37197 0.46559 1.00000
