Tb7YO12
Alexandria ALEXAlex-ID: agm013166262 · 空间群: I2_12_12_1 (#24)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_12_spg24
Tb11Y5O24 Tb2O3
2025-01-26 22:43:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013166262).
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 agm013166262
data_agm013166262
_cell_length_a 9.29943
_cell_length_b 9.29943
_cell_length_c 9.29943
_cell_angle_alpha 109.46039
_cell_angle_beta 109.49232
_cell_angle_gamma 109.46096
_cell_volume 619.07973
_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 0.53229 0.75000 0.28229 1.00000
Tb2 Tb 0.50031 0.50019 0.50046 1.00000
Tb3 Tb 0.78225 0.03225 0.75000 1.00000
Tb4 Tb 0.71775 0.46775 0.25000 1.00000
Tb5 Tb 0.25000 0.71781 0.46781 1.00000
Tb6 Tb 0.25000 0.21750 0.96750 1.00000
Tb7 Tb 0.49973 0.99984 0.99954 1.00000
Tb8 Tb 0.99969 0.50016 0.99989 1.00000
Tb9 Tb 0.00027 0.99981 0.50011 1.00000
Tb10 Tb 0.96771 0.25000 0.21771 1.00000
Tb11 Tb 0.75000 0.78219 0.03219 1.00000
Tb12 Tb 0.75000 0.28250 0.53250 1.00000
Tb13 Tb 0.21787 0.96787 0.25000 1.00000
Tb14 Tb 0.28213 0.53213 0.75000 1.00000
Y1 Y 0.03236 0.75000 0.78236 1.00000
Y2 Y 0.46764 0.25000 0.71764 1.00000
O1 O 0.04203 0.27171 0.01138 1.00000
O2 O 0.45797 0.46935 0.22968 1.00000
O3 O 0.46939 0.22981 0.45815 1.00000
O4 O 0.77176 0.72955 0.26009 1.00000
O5 O 0.27166 0.01124 0.04185 1.00000
O6 O 0.96947 0.51167 0.23991 1.00000
O7 O 0.73967 0.22829 0.27032 1.00000
O8 O 0.76033 0.03065 0.48862 1.00000
O9 O 0.98846 0.95726 0.72841 1.00000
O10 O 0.22969 0.45788 0.46955 1.00000
O11 O 0.27031 0.73986 0.22819 1.00000
O12 O 0.51154 0.23994 0.96880 1.00000
O13 O 0.48833 0.76014 0.03045 1.00000
O14 O 0.01167 0.04212 0.27181 1.00000
O15 O 0.72886 0.26006 0.77159 1.00000
O16 O 0.77114 0.54274 0.53120 1.00000
O17 O 0.24051 0.96978 0.51201 1.00000
O18 O 0.25949 0.77150 0.72926 1.00000
O19 O 0.72824 0.98833 0.95779 1.00000
O20 O 0.03061 0.48876 0.76042 1.00000
O21 O 0.53053 0.77045 0.54221 1.00000
O22 O 0.22834 0.27019 0.73958 1.00000
O23 O 0.95777 0.72850 0.98799 1.00000
O24 O 0.54223 0.53022 0.77074 1.00000
