La(Ti2In)3
Alexandria ALEXAlex-ID: agm012587487 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_636_spg12
Ti3In La3In5 Ti
2024-06-28 02:44:44.862174
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012587487).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm012587487
data_agm012587487
_cell_length_a 4.90491
_cell_length_b 5.61243
_cell_length_c 7.45626
_cell_angle_alpha 77.34720
_cell_angle_beta 90.00045
_cell_angle_gamma 90.00837
_cell_volume 200.27447
_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
La1 La 0.50000 0.50000 0.50000 1.00000
Ti1 Ti 0.50031 0.06131 0.30737 1.00000
Ti2 Ti 0.99967 0.16737 0.60851 1.00000
Ti3 Ti 0.49969 0.93869 0.69263 1.00000
Ti4 Ti 0.00033 0.83263 0.39149 1.00000
Ti5 Ti 0.49995 0.72816 0.07308 1.00000
Ti6 Ti 0.50005 0.27184 0.92692 1.00000
In1 In 0.00010 0.40188 0.21044 1.00000
In2 In 0.99990 0.59812 0.78956 1.00000
In3 In 0.00000 0.00000 0.00000 1.00000
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