Tb2Ce2Th2Zn
Alexandria ALEXAlex-ID: agm017390953 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_117_spg119
Tb2Zn Ce3Th CeTh3
2025-05-19 00:44:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017390953).
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}
}
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# CIF generated by HEAS from Alexandria entry agm017390953
data_agm017390953
_cell_length_a 15.94470
_cell_length_b 15.94470
_cell_length_c 15.94470
_cell_angle_alpha 167.33894
_cell_angle_beta 167.33894
_cell_angle_gamma 17.94226
_cell_volume 194.72901
_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 0.55869 0.55869 0.00000 1.00000
Tb2 Tb 0.44131 0.44131 0.00000 1.00000
Ce1 Ce 0.71390 0.71390 0.00000 1.00000
Ce2 Ce 0.28610 0.28610 0.00000 1.00000
Th1 Th 0.86196 0.86196 0.00000 1.00000
Th2 Th 0.13804 0.13804 0.00000 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
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