AcMnB14
Alexandria ALEXAlex-ID: agm005754830 · 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
MnB4 B AcB6
2023-07-18 14:05:43.556851
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754830).
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 agm005754830
data_agm005754830
_cell_length_a 5.88328
_cell_length_b 7.54628
_cell_length_c 7.54628
_cell_angle_alpha 68.02055
_cell_angle_beta 67.05711
_cell_angle_gamma 67.05713
_cell_volume 274.18432
_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
Ac1 Ac 0.25000 0.37779 0.12221 1.00000
Ac2 Ac 0.75000 0.62221 0.87779 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
B1 B 0.66456 0.36404 0.30684 1.00000
B2 B 0.33544 0.63596 0.69316 1.00000
B3 B 0.16456 0.80684 0.86404 1.00000
B4 B 0.83544 0.19316 0.13596 1.00000
B5 B 0.12400 0.23823 0.51377 1.00000
B6 B 0.87600 0.76177 0.48623 1.00000
B7 B 0.62400 0.01377 0.73823 1.00000
B8 B 0.37600 0.98623 0.26177 1.00000
B9 B 0.08195 0.08509 0.75101 1.00000
B10 B 0.91805 0.91491 0.24899 1.00000
B11 B 0.58195 0.25101 0.58509 1.00000
B12 B 0.41805 0.74899 0.41491 1.00000
B13 B 0.71765 0.60078 0.28446 1.00000
B14 B 0.60289 0.39922 0.71554 1.00000
B15 B 0.21765 0.78446 0.10078 1.00000
B16 B 0.10289 0.21554 0.89922 1.00000
B17 B 0.28235 0.39922 0.71554 1.00000
B18 B 0.39711 0.60078 0.28446 1.00000
B19 B 0.78235 0.21554 0.89922 1.00000
B20 B 0.89711 0.78446 0.10078 1.00000
B21 B 0.32430 0.97441 0.87546 1.00000
B22 B 0.17417 0.02559 0.12454 1.00000
B23 B 0.82430 0.37546 0.47441 1.00000
B24 B 0.67417 0.62454 0.52559 1.00000
B25 B 0.67570 0.02559 0.12454 1.00000
B26 B 0.82583 0.97441 0.87546 1.00000
B27 B 0.17570 0.62454 0.52559 1.00000
B28 B 0.32583 0.37546 0.47441 1.00000
