Tb4U3Nb4
Alexandria ALEXAlex-ID: agm009652575 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_368_spg12
Tb U Nb
2024-06-24 11:16:44.035919
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009652575).
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 agm009652575
data_agm009652575
_cell_length_a 15.28898
_cell_length_b 15.28898
_cell_length_c 3.19429
_cell_angle_alpha 82.75052
_cell_angle_beta 82.75052
_cell_angle_gamma 20.45788
_cell_volume 258.82253
_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 0.44711 0.44711 0.41949 1.00000
Tb2 Tb 0.55289 0.55289 0.58051 1.00000
Tb3 Tb 0.18230 0.18230 0.54528 1.00000
Tb4 Tb 0.81770 0.81770 0.45472 1.00000
U1 U 0.35467 0.35467 0.99818 1.00000
U2 U 0.64533 0.64533 0.00182 1.00000
U3 U 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.91421 0.91421 0.88644 1.00000
Nb2 Nb 0.72320 0.72320 0.16667 1.00000
Nb3 Nb 0.27680 0.27680 0.83333 1.00000
Nb4 Nb 0.08579 0.08579 0.11356 1.00000
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