Tb3Ho(BO3)4
Alexandria ALEXAlex-ID: agm011669002 · 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
AB3C4D12_60_spg2
HoBO3 TbBO3
2024-04-06 16:31:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011669002).
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 agm011669002
data_agm011669002
_cell_length_a 5.01890
_cell_length_b 6.31815
_cell_length_c 8.06790
_cell_angle_alpha 106.79855
_cell_angle_beta 90.00239
_cell_angle_gamma 90.00099
_cell_volume 244.91761
_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 0.50000 0.50000 0.50000 1.00000
Tb2 Tb 0.00000 0.00000 0.50000 1.00000
Tb3 Tb 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
B1 B 0.49976 0.99968 0.75147 1.00000
B2 B 0.00013 0.49876 0.24931 1.00000
B3 B 0.50024 0.00032 0.24853 1.00000
B4 B 0.99987 0.50124 0.75069 1.00000
O1 O 0.77666 0.00013 0.75253 1.00000
O2 O 0.27661 0.50048 0.24992 1.00000
O3 O 0.86128 0.63779 0.38706 1.00000
O4 O 0.35917 0.13688 0.88933 1.00000
O5 O 0.36313 0.86240 0.61170 1.00000
O6 O 0.86280 0.35872 0.11128 1.00000
O7 O 0.22334 0.99987 0.24747 1.00000
O8 O 0.72339 0.49952 0.75008 1.00000
O9 O 0.13872 0.36221 0.61294 1.00000
O10 O 0.64083 0.86312 0.11067 1.00000
O11 O 0.63687 0.13760 0.38830 1.00000
O12 O 0.13720 0.64128 0.88872 1.00000
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