Tm(ZrNb4)2
Alexandria ALEXAlex-ID: agm047984828 · 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
AB2C8_154_spg12
ZrNb17 Tm TmZr5
2024-10-15 14:58:54.087803
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047984828).
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 agm047984828
data_agm047984828
_cell_length_a 8.49422
_cell_length_b 8.49422
_cell_length_c 5.57937
_cell_angle_alpha 91.03902
_cell_angle_beta 91.03902
_cell_angle_gamma 32.69344
_cell_volume 217.40204
_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
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Zr1 Zr 0.55829 0.55829 0.71136 1.00000
Zr2 Zr 0.44171 0.44171 0.28864 1.00000
Nb1 Nb 0.35962 0.35962 0.80184 1.00000
Nb2 Nb 0.90038 0.90038 0.54251 1.00000
Nb3 Nb 0.18687 0.18687 0.90830 1.00000
Nb4 Nb 0.81313 0.81313 0.09170 1.00000
Nb5 Nb 0.09962 0.09962 0.45749 1.00000
Nb6 Nb 0.64038 0.64038 0.19816 1.00000
Nb7 Nb 0.73203 0.73203 0.63740 1.00000
Nb8 Nb 0.26797 0.26797 0.36260 1.00000
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