Y2Ti5In2
Alexandria ALEXAlex-ID: agm010040465 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_119_spg12
Ti YIn
2024-07-14 03:24:19.698963
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010040465).
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 agm010040465
data_agm010040465
_cell_length_a 5.74235
_cell_length_b 5.74235
_cell_length_c 12.77438
_cell_angle_alpha 54.19568
_cell_angle_beta 54.19568
_cell_angle_gamma 35.43306
_cell_volume 192.72806
_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 0.65395 0.65395 0.83550 1.00000
Y2 Y 0.34605 0.34605 0.16450 1.00000
Ti1 Ti 0.75505 0.75505 0.41656 1.00000
Ti2 Ti 0.24495 0.24495 0.58344 1.00000
Ti3 Ti 0.86654 0.86654 0.93220 1.00000
Ti4 Ti 0.13346 0.13346 0.06780 1.00000
Ti5 Ti 0.00000 0.00000 0.50000 1.00000
In1 In 0.46584 0.46584 0.70195 1.00000
In2 In 0.53416 0.53416 0.29805 1.00000
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