VGa2Ir
Alexandria ALEXAlex-ID: agm002901366 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_234_spg122
Ga2Ir V3Ir V2Ga5
2020-06-29 00:30:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002901366).
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 agm002901366
data_agm002901366
_cell_length_a 3.71992
_cell_length_b 3.71992
_cell_length_c 9.60175
_cell_angle_alpha 78.83059
_cell_angle_beta 78.83059
_cell_angle_gamma 90.00000
_cell_volume 127.78436
_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
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ir2 Ir 0.75000 0.25000 0.50000 1.00000
Ga1 Ga 0.61943 0.12500 0.25000 1.00000
Ga2 Ga 0.13057 0.62500 0.25000 1.00000
Ga3 Ga 0.37500 0.38057 0.75000 1.00000
Ga4 Ga 0.87500 0.86943 0.75000 1.00000
V1 V 0.50000 0.50000 0.00000 1.00000
V2 V 0.25000 0.75000 0.50000 1.00000
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