Tb6Np2Sc3
Alexandria ALEXAlex-ID: agm011925383 · 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
A2B3C6_194_spg12
Tb Np Sc
2024-07-13 14:13:01.026831
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011925383).
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 agm011925383
data_agm011925383
_cell_length_a 3.68726
_cell_length_b 8.49898
_cell_length_c 11.50136
_cell_angle_alpha 119.22547
_cell_angle_beta 99.22259
_cell_angle_gamma 90.00183
_cell_volume 309.19756
_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 0.42470 0.61488 0.34933 1.00000
Tb2 Tb 0.64636 0.11026 0.79237 1.00000
Tb3 Tb 0.57530 0.38512 0.65067 1.00000
Tb4 Tb 0.35364 0.88974 0.20763 1.00000
Tb5 Tb 0.07208 0.71665 0.64383 1.00000
Tb6 Tb 0.92792 0.28335 0.35617 1.00000
Np1 Np 0.21800 0.50074 0.93606 1.00000
Np2 Np 0.78200 0.49926 0.06394 1.00000
Sc1 Sc 0.00000 0.00000 0.50000 1.00000
Sc2 Sc 0.71441 0.81121 0.92887 1.00000
Sc3 Sc 0.28559 0.18879 0.07113 1.00000
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