V3IrRu2
Alexandria ALEXAlex-ID: agm005708272 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2157_spg65
VIr V3Ir V3Ru5
2023-08-25 08:31:49.231113
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708272).
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 agm005708272
data_agm005708272
_cell_length_a 4.32176
_cell_length_b 6.95437
_cell_length_c 5.81424
_cell_angle_alpha 90.00004
_cell_angle_beta 90.00014
_cell_angle_gamma 71.89724
_cell_volume 166.09775
_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
V1 V 0.84333 0.31332 0.74845 1.00000
V2 V 0.50002 1.00000 0.24024 1.00000
V3 V 0.15667 0.68668 0.25155 1.00000
V4 V 0.84335 0.31332 0.25155 1.00000
V5 V 0.15665 0.68668 0.74845 1.00000
V6 V 0.49998 0.00000 0.75976 1.00000
Ir1 Ir 0.31903 0.36193 1.00000 1.00000
Ir2 Ir 0.68097 0.63807 0.00000 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.00000 0.00000 0.50000 1.00000
Ru3 Ru 0.32683 0.34634 0.50000 1.00000
Ru4 Ru 0.67317 0.65366 0.50000 1.00000
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