TbEr2Zr7
Alexandria ALEXAlex-ID: agm012135259 · 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
AB2C7_312_spg71
TbEr2 Zr
2024-06-02 07:55:48.613844
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012135259).
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 agm012135259
data_agm012135259
_cell_length_a 7.93990
_cell_length_b 7.93990
_cell_length_c 6.62088
_cell_angle_alpha 78.00702
_cell_angle_beta 78.00702
_cell_angle_gamma 38.38080
_cell_volume 252.80343
_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 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.78744 0.78744 0.85151 1.00000
Er2 Er 0.21256 0.21256 0.14849 1.00000
Zr1 Zr 0.21166 0.21166 0.63536 1.00000
Zr2 Zr 0.78834 0.78834 0.36464 1.00000
Zr3 Zr 0.59445 0.59445 0.21365 1.00000
Zr4 Zr 0.40555 0.40555 0.78635 1.00000
Zr5 Zr 0.40092 0.40092 0.30857 1.00000
Zr6 Zr 0.59908 0.59908 0.69143 1.00000
Zr7 Zr 0.00000 0.00000 0.50000 1.00000
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