Tb3(YTm)4
Alexandria ALEXAlex-ID: agm005694415 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_55_spg71
Tb5Y Y5Tm YTm2
2023-07-02 02:29:37.782580
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694415).
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 agm005694415
data_agm005694415
_cell_length_a 3.53773
_cell_length_b 4.99842
_cell_length_c 19.71673
_cell_angle_alpha 97.27699
_cell_angle_beta 95.14588
_cell_angle_gamma 89.98307
_cell_volume 344.42875
_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 0.63655 0.63607 0.27318 1.00000
Tb2 Tb 0.36342 0.36396 0.72682 1.00000
Tb3 Tb 0.00002 0.00002 0.00000 1.00000
Y1 Y 0.54608 0.54546 0.09182 1.00000
Y2 Y 0.45394 0.45457 0.90819 1.00000
Y3 Y 0.81779 0.81790 0.63521 1.00000
Y4 Y 0.18214 0.18213 0.36478 1.00000
Tm1 Tm 0.09163 0.09077 0.18279 1.00000
Tm2 Tm 0.27233 0.27241 0.54463 1.00000
Tm3 Tm 0.72758 0.72762 0.45536 1.00000
Tm4 Tm 0.90837 0.90926 0.81722 1.00000
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