Ce(Y2Tm)2
Alexandria ALEXAlex-ID: agm003453031 · 空间群: P6_3/mmc (#194)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_970_spg194
Y5Tm YTm2 Ce
2022-02-20 06:04:09.406872
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003453031).
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 agm003453031
data_agm003453031
_cell_length_a 5.59467
_cell_length_b 5.57775
_cell_length_c 16.74030
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.10039
_cell_volume 451.94710
_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
Ce1 Ce 0.50216 0.00432 0.75000 1.00000
Ce2 Ce 0.49784 0.99568 0.25000 1.00000
Y1 Y 0.83125 0.66250 0.14476 1.00000
Y2 Y 0.83125 0.66250 0.35524 1.00000
Y3 Y 0.16875 0.33750 0.85524 1.00000
Y4 Y 0.16875 0.33750 0.64476 1.00000
Y5 Y 0.83548 0.67095 0.75000 1.00000
Y6 Y 0.16452 0.32905 0.25000 1.00000
Y7 Y 0.50000 0.00000 0.00000 1.00000
Y8 Y 0.50000 0.00000 0.50000 1.00000
Tm1 Tm 0.16549 0.33098 0.44396 1.00000
Tm2 Tm 0.83451 0.66902 0.94396 1.00000
Tm3 Tm 0.16549 0.33098 0.05604 1.00000
Tm4 Tm 0.83451 0.66902 0.55604 1.00000
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