Yb(MnB)2
Alexandria ALEXAlex-ID: agm002199474 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_14_spg70
MnB Yb
2018-07-09 04:19:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199474).
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 agm002199474
data_agm002199474
_cell_length_a 5.51788
_cell_length_b 5.51788
_cell_length_c 5.42981
_cell_angle_alpha 105.21948
_cell_angle_beta 105.21948
_cell_angle_gamma 119.19374
_cell_volume 123.38642
_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
B1 B 0.88616 0.11384 0.50000 1.00000
B2 B 0.55874 0.44126 0.50000 1.00000
B3 B 0.69126 0.30874 1.00000 1.00000
B4 B 0.36384 0.63616 0.00000 1.00000
Yb1 Yb 0.27369 0.72631 0.50000 1.00000
Yb2 Yb 0.97631 0.02369 1.00000 1.00000
Mn1 Mn 0.55285 0.09159 0.22246 1.00000
Mn2 Mn 0.90841 0.44715 0.77754 1.00000
Mn3 Mn 0.34159 0.30285 0.72246 1.00000
Mn4 Mn 0.69715 0.65841 0.27754 1.00000
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