NaAcTb
Alexandria ALEXAlex-ID: agm005659692 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_7870_spg166
Na Ac Tb
2023-06-17 21:32:26.494914
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659692).
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 agm005659692
data_agm005659692
_cell_length_a 5.66990
_cell_length_b 5.66145
_cell_length_c 10.16788
_cell_angle_alpha 89.77253
_cell_angle_beta 73.89515
_cell_angle_gamma 59.96554
_cell_volume 267.88024
_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 0.57343 0.98318 0.68214 1.00000
Na2 Na 0.75751 0.39345 0.89938 1.00000
Ac1 Ac 0.04061 0.24940 0.48082 1.00000
Ac2 Ac 0.29066 0.12647 0.10074 1.00000
Tb1 Tb 0.83680 0.85220 0.28441 1.00000
Tb2 Tb 0.49443 0.52363 0.29721 1.00000
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