MnV11B8
Alexandria ALEXAlex-ID: agm008301033 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB8C11_4_spg10
V3B2 Mn3V4 VB
2024-05-09 10:32:37.113279
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008301033).
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 agm008301033
data_agm008301033
_cell_length_a 3.01493
_cell_length_b 5.68485
_cell_length_c 11.37114
_cell_angle_alpha 89.97722
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 194.89486
_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
Mn1 Mn 0.00000 0.50000 0.00000 1.00000
V1 V 0.50000 0.17886 0.08790 1.00000
V2 V 0.50000 0.17831 0.58955 1.00000
V3 V 0.50000 0.82114 0.91210 1.00000
V4 V 0.50000 0.82169 0.41045 1.00000
V5 V 0.50000 0.32326 0.84111 1.00000
V6 V 0.50000 0.32151 0.33743 1.00000
V7 V 0.50000 0.67674 0.15889 1.00000
V8 V 0.50000 0.67849 0.66257 1.00000
V9 V 0.00000 0.50000 0.50000 1.00000
V10 V 0.00000 0.99998 0.75115 1.00000
V11 V 0.00000 0.00002 0.24885 1.00000
B1 B 0.00000 0.61015 0.80880 1.00000
B2 B 0.00000 0.61116 0.30386 1.00000
B3 B 0.00000 0.38985 0.19120 1.00000
B4 B 0.00000 0.38884 0.69614 1.00000
B5 B 0.00000 0.88613 0.05512 1.00000
B6 B 0.00000 0.88883 0.55573 1.00000
B7 B 0.00000 0.11387 0.94488 1.00000
B8 B 0.00000 0.11117 0.44427 1.00000
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