Y3Ga8Ru3
Alexandria ALEXAlex-ID: agm005679987 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_0_spg71
Y2Ga3Ru YGa3Ru Y2Ga4Ru3
2023-06-29 09:46:50.852337
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679987).
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 agm005679987
data_agm005679987
_cell_length_a 4.20822
_cell_length_b 8.23326
_cell_length_c 8.23326
_cell_angle_alpha 72.56433
_cell_angle_beta 75.19310
_cell_angle_gamma 75.19310
_cell_volume 258.11562
_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
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.83322 0.16678 0.16678 1.00000
Y3 Y 0.16678 0.83322 0.83322 1.00000
Ga1 Ga 0.61887 0.09549 0.66678 1.00000
Ga2 Ga 0.38113 0.90451 0.33322 1.00000
Ga3 Ga 0.61887 0.66678 0.09549 1.00000
Ga4 Ga 0.38113 0.33322 0.90451 1.00000
Ga5 Ga 0.82948 0.80462 0.53643 1.00000
Ga6 Ga 0.17052 0.19538 0.46357 1.00000
Ga7 Ga 0.82948 0.53643 0.80462 1.00000
Ga8 Ga 0.17052 0.46357 0.19538 1.00000
Ru1 Ru 0.50000 0.00000 0.00000 1.00000
Ru2 Ru 0.00000 0.77104 0.22896 1.00000
Ru3 Ru 1.00000 0.22896 0.77104 1.00000
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