Mn2V5Ga2
Alexandria ALEXAlex-ID: agm009846148 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_267_spg64
V6Ga5 Mn3V4 V2Ga5
2024-06-02 02:02:23.452660
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009846148).
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}
}
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# CIF generated by HEAS from Alexandria entry agm009846148
data_agm009846148
_cell_length_a 7.13209
_cell_length_b 7.13209
_cell_length_c 6.18988
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 128.52491
_cell_volume 246.32593
_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 0.73424 0.26576 0.00000 1.00000
Mn2 Mn 0.23424 0.76576 0.50000 1.00000
Mn3 Mn 0.26576 0.73424 0.00000 1.00000
Mn4 Mn 0.76576 0.23424 0.50000 1.00000
V1 V 0.50000 0.50000 0.00000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
V3 V 0.32008 0.04066 0.18518 1.00000
V4 V 0.95934 0.67992 0.81482 1.00000
V5 V 0.45934 0.17992 0.68518 1.00000
V6 V 0.82008 0.54066 0.31482 1.00000
V7 V 0.67992 0.95934 0.81482 1.00000
V8 V 0.04066 0.32008 0.18518 1.00000
V9 V 0.54066 0.82008 0.31482 1.00000
V10 V 0.17992 0.45934 0.68518 1.00000
Ga1 Ga 0.36900 0.36900 0.36948 1.00000
Ga2 Ga 0.63100 0.63100 0.63052 1.00000
Ga3 Ga 0.13100 0.13100 0.86948 1.00000
Ga4 Ga 0.86900 0.86900 0.13052 1.00000
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