TbYH6
Alexandria ALEXAlex-ID: agm080480420 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_1619_spg14
YH3 TbH3
2025-02-26 17:18:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080480420).
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 agm080480420
data_agm080480420
_cell_length_a 6.57271
_cell_length_b 6.32160
_cell_length_c 7.31529
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00194
_cell_angle_gamma 90.00000
_cell_volume 303.95072
_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 0.75136 0.91630 0.37775 1.00000
Tb2 Tb 0.25136 0.58370 0.37775 1.00000
Tb3 Tb 0.24864 0.08370 0.62225 1.00000
Tb4 Tb 0.74864 0.41630 0.62225 1.00000
Y1 Y 0.24847 0.58427 0.87831 1.00000
Y2 Y 0.74847 0.91573 0.87831 1.00000
Y3 Y 0.75153 0.41573 0.12169 1.00000
Y4 Y 0.25153 0.08427 0.12169 1.00000
H1 H 0.09127 0.89980 0.89129 1.00000
H2 H 0.90619 0.56820 0.86525 1.00000
H3 H 0.80284 0.74925 0.12520 1.00000
H4 H 0.09381 0.43180 0.13475 1.00000
H5 H 0.90889 0.60179 0.39256 1.00000
H6 H 0.90495 0.06834 0.63481 1.00000
H7 H 0.30487 0.24897 0.37329 1.00000
H8 H 0.09111 0.39821 0.60744 1.00000
H9 H 0.69716 0.24925 0.87480 1.00000
H10 H 0.40873 0.39980 0.10871 1.00000
H11 H 0.90873 0.10020 0.10871 1.00000
H12 H 0.19716 0.25075 0.87480 1.00000
H13 H 0.40889 0.89821 0.39256 1.00000
H14 H 0.80487 0.25103 0.37329 1.00000
H15 H 0.59111 0.10179 0.60744 1.00000
H16 H 0.40495 0.43166 0.63481 1.00000
H17 H 0.30284 0.75075 0.12520 1.00000
H18 H 0.40619 0.93180 0.86525 1.00000
H19 H 0.59381 0.06820 0.13475 1.00000
H20 H 0.59127 0.60020 0.89129 1.00000
H21 H 0.69513 0.75103 0.62671 1.00000
H22 H 0.09505 0.93166 0.36519 1.00000
H23 H 0.59505 0.56834 0.36519 1.00000
H24 H 0.19513 0.74897 0.62671 1.00000
