Tb4Y7Ho
Alexandria ALEXAlex-ID: agm063166198 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_537_spg2
Tb2Y7 Tb5Y Y5Ho
2024-12-12 10:40:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063166198).
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 agm063166198
data_agm063166198
_cell_length_a 6.22473
_cell_length_b 7.19639
_cell_length_c 8.85124
_cell_angle_alpha 90.00972
_cell_angle_beta 103.55337
_cell_angle_gamma 90.00520
_cell_volume 385.45504
_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
Tb1 Tb 0.27649 0.25008 0.33349 1.00000
Tb2 Tb 0.72351 0.74992 0.66651 1.00000
Tb3 Tb 0.22189 0.49994 0.66507 1.00000
Tb4 Tb 0.77811 0.50006 0.33493 1.00000
Y1 Y 0.49917 0.24945 0.00106 1.00000
Y2 Y 0.50083 0.75055 0.99894 1.00000
Y3 Y 0.72068 0.24977 0.66621 1.00000
Y4 Y 0.27932 0.75023 0.33379 1.00000
Y5 Y 0.22118 0.00015 0.66600 1.00000
Y6 Y 0.00000 0.50000 0.00000 1.00000
Y7 Y 0.77882 0.99985 0.33400 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
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