La3Tb6Sc
Alexandria ALEXAlex-ID: agm006018541 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_1220_spg5
LaTb7 La3Tb5 Sc
2023-09-21 14:30:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006018541).
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 agm006018541
data_agm006018541
_cell_length_a 9.91241
_cell_length_b 9.91242
_cell_length_c 6.90442
_cell_angle_alpha 44.12429
_cell_angle_beta 44.12430
_cell_angle_gamma 60.00000
_cell_volume 328.66985
_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
La1 La 0.35006 0.35006 0.94982 1.00000
La2 La 0.60188 0.60188 0.19436 1.00000
La3 La 0.09814 0.09814 0.70559 1.00000
Tb1 Tb 0.92389 0.60713 0.20347 1.00000
Tb2 Tb 0.26550 0.92389 0.20347 1.00000
Tb3 Tb 0.60713 0.26550 0.20347 1.00000
Tb4 Tb 0.09272 0.43442 0.69662 1.00000
Tb5 Tb 0.77623 0.09272 0.69662 1.00000
Tb6 Tb 0.43442 0.77623 0.69662 1.00000
Sc1 Sc 0.85001 0.85001 0.44996 1.00000
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