Y2Tm2Ti5
Alexandria ALEXAlex-ID: agm010051356 · 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
Y5Tm YTm2 Ti
2024-07-14 03:03:46.485241
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010051356).
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}
}
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# CIF generated by HEAS from Alexandria entry agm010051356
data_agm010051356
_cell_length_a 6.25090
_cell_length_b 6.25090
_cell_length_c 10.73581
_cell_angle_alpha 74.39362
_cell_angle_beta 74.39362
_cell_angle_gamma 31.41270
_cell_volume 209.92548
_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 0.68139 0.68139 0.27640 1.00000
Y2 Y 0.31861 0.31861 0.72360 1.00000
Tm1 Tm 0.97300 0.97300 0.17182 1.00000
Tm2 Tm 0.02700 0.02700 0.82818 1.00000
Ti1 Ti 0.66212 0.66212 0.57168 1.00000
Ti2 Ti 0.33788 0.33788 0.42832 1.00000
Ti3 Ti 0.32848 0.32848 0.02152 1.00000
Ti4 Ti 0.67152 0.67152 0.97848 1.00000
Ti5 Ti 0.00000 0.00000 0.50000 1.00000
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