Na2Tb(BO3)2
Alexandria ALEXAlex-ID: agm004579072 · 空间群: P-3 (#147)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D6_287_spg164
NaBO2 Na2Tb2B2O7 TbBO3 NaO4
2022-06-23 05:35:05.701205
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004579072).
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 agm004579072
data_agm004579072
_cell_length_a 5.34152
_cell_length_b 5.34152
_cell_length_c 6.19742
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 153.13404
_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
Na1 Na 0.66667 0.33333 0.65588 1.00000
Na2 Na 0.33333 0.66667 0.34412 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
B1 B 0.33333 0.66667 0.79067 1.00000
B2 B 0.66667 0.33333 0.20933 1.00000
O1 O 0.10280 0.38848 0.78413 1.00000
O2 O 0.61152 0.71432 0.78413 1.00000
O3 O 0.28568 0.89720 0.78413 1.00000
O4 O 0.89720 0.61152 0.21587 1.00000
O5 O 0.38848 0.28568 0.21587 1.00000
O6 O 0.71432 0.10280 0.21587 1.00000
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