Ba(MnSb2)2
Alexandria ALEXAlex-ID: agm096238947 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_158_spg12
MnSb BaSb2
2025-04-10 22:46:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096238947).
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
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# CIF generated by HEAS from Alexandria entry agm096238947
data_agm096238947
_cell_length_a 4.25084
_cell_length_b 6.26072
_cell_length_c 7.48190
_cell_angle_alpha 91.35444
_cell_angle_beta 73.50461
_cell_angle_gamma 90.01898
_cell_volume 190.86569
_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
Ba1 Ba 0.78578 0.50023 0.21433 1.00000
Mn1 Mn 0.98478 0.03559 0.81571 1.00000
Mn2 Mn 0.58642 0.96453 0.61277 1.00000
Sb1 Sb 0.47702 0.31813 0.83253 1.00000
Sb2 Sb 0.17616 0.11036 0.43344 1.00000
Sb3 Sb 0.09469 0.68175 0.59627 1.00000
Sb4 Sb 0.39514 0.88942 0.99495 1.00000
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