PmB14W
Alexandria ALEXAlex-ID: agm005754255 · 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
PmB6 B2W B
2023-07-18 14:04:46.470314
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754255).
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 agm005754255
data_agm005754255
_cell_length_a 5.86942
_cell_length_b 7.47811
_cell_length_c 7.47811
_cell_angle_alpha 66.87654
_cell_angle_beta 66.89357
_cell_angle_gamma 66.89357
_cell_volume 266.39715
_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
Pm1 Pm 0.25000 0.37476 0.12524 1.00000
Pm2 Pm 0.75000 0.62524 0.87476 1.00000
B1 B 0.66770 0.36376 0.30084 1.00000
B2 B 0.33230 0.63624 0.69916 1.00000
B3 B 0.16770 0.80084 0.86376 1.00000
B4 B 0.83230 0.19916 0.13624 1.00000
B5 B 0.11771 0.25235 0.51224 1.00000
B6 B 0.88229 0.74765 0.48776 1.00000
B7 B 0.61771 0.01224 0.75235 1.00000
B8 B 0.38229 0.98776 0.24765 1.00000
B9 B 0.08062 0.08930 0.74946 1.00000
B10 B 0.91938 0.91070 0.25054 1.00000
B11 B 0.58062 0.24946 0.58930 1.00000
B12 B 0.41938 0.75054 0.41070 1.00000
B13 B 0.72461 0.59761 0.27480 1.00000
B14 B 0.59701 0.40239 0.72520 1.00000
B15 B 0.22461 0.77480 0.09761 1.00000
B16 B 0.09701 0.22520 0.90239 1.00000
B17 B 0.27539 0.40239 0.72520 1.00000
B18 B 0.40299 0.59761 0.27480 1.00000
B19 B 0.77539 0.22520 0.90239 1.00000
B20 B 0.90299 0.77480 0.09761 1.00000
B21 B 0.32335 0.97215 0.87386 1.00000
B22 B 0.16936 0.02785 0.12614 1.00000
B23 B 0.82335 0.37386 0.47215 1.00000
B24 B 0.66936 0.62614 0.52785 1.00000
B25 B 0.67665 0.02785 0.12614 1.00000
B26 B 0.83064 0.97215 0.87386 1.00000
B27 B 0.17665 0.62614 0.52785 1.00000
B28 B 0.33064 0.37386 0.47215 1.00000
W1 W 0.50000 0.00000 0.50000 1.00000
W2 W 0.00000 0.00000 0.50000 1.00000
