Y4GaTc
Alexandria ALEXAlex-ID: agm005803892 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1160_spg15
Y3Tc Y3Ga2 YTc2
2023-07-28 10:39:47.335200
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803892).
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 agm005803892
data_agm005803892
_cell_length_a 6.27347
_cell_length_b 7.97646
_cell_length_c 7.97647
_cell_angle_alpha 111.46993
_cell_angle_beta 106.22021
_cell_angle_gamma 106.22012
_cell_volume 322.50907
_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 0.80250 0.64226 0.77711 1.00000
Y2 Y 0.08413 0.94429 0.29336 1.00000
Y3 Y 0.69750 0.22289 0.35774 1.00000
Y4 Y 0.41587 0.70664 0.05571 1.00000
Y5 Y 0.58413 0.29336 0.94429 1.00000
Y6 Y 0.30250 0.77711 0.64226 1.00000
Y7 Y 0.91587 0.05571 0.70664 1.00000
Y8 Y 0.19750 0.35774 0.22289 1.00000
Ga1 Ga 0.75000 0.63167 0.36833 1.00000
Ga2 Ga 0.25000 0.36833 0.63167 1.00000
Tc1 Tc 0.25000 0.00055 0.99945 1.00000
Tc2 Tc 0.75000 0.99945 0.00055 1.00000
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