YTm3Hf2
Alexandria ALEXAlex-ID: agm019349705 · 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
AB2C3_4779_spg11
YTm7 YTm2 Hf
2025-04-14 14:58:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019349705).
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 agm019349705
data_agm019349705
_cell_length_a 10.57448
_cell_length_b 10.57448
_cell_length_c 10.80145
_cell_angle_alpha 59.78716
_cell_angle_beta 120.21284
_cell_angle_gamma 161.42463
_cell_volume 330.97642
_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 0.44460 0.55540 0.32978 1.00000
Y2 Y 0.55540 0.44460 0.67022 1.00000
Tm1 Tm 0.22409 0.77591 0.83962 1.00000
Tm2 Tm 0.11198 0.88802 0.99419 1.00000
Tm3 Tm 0.43849 0.56151 0.79882 1.00000
Tm4 Tm 0.77591 0.22409 0.16038 1.00000
Tm5 Tm 0.56151 0.43849 0.20118 1.00000
Tm6 Tm 0.88802 0.11198 0.00581 1.00000
Hf1 Hf 0.22737 0.77263 0.36341 1.00000
Hf2 Hf 0.77263 0.22737 0.63659 1.00000
Hf3 Hf 0.87500 0.12500 0.50507 1.00000
Hf4 Hf 0.12500 0.87500 0.49493 1.00000
获取直接链接