TbTm2Cu3
Alexandria ALEXAlex-ID: agm016775982 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1898_spg2
TbTm5Cu6 TbCu
2025-02-27 04:42:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016775982).
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 agm016775982
data_agm016775982
_cell_length_a 5.44250
_cell_length_b 5.78331
_cell_length_c 8.62505
_cell_angle_alpha 81.87184
_cell_angle_beta 72.86991
_cell_angle_gamma 77.40390
_cell_volume 252.32393
_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 0.78554 0.95163 0.20418 1.00000
Tb2 Tb 0.21446 0.04837 0.79582 1.00000
Tm1 Tm 0.22091 0.71087 0.46525 1.00000
Tm2 Tm 0.77864 0.61752 0.87003 1.00000
Tm3 Tm 0.22136 0.38248 0.12997 1.00000
Tm4 Tm 0.77909 0.28913 0.53475 1.00000
Cu1 Cu 0.35434 0.52545 0.77460 1.00000
Cu2 Cu 0.64566 0.47455 0.22540 1.00000
Cu3 Cu 0.64075 0.14268 0.89121 1.00000
Cu4 Cu 0.64722 0.80861 0.56053 1.00000
Cu5 Cu 0.35278 0.19139 0.43947 1.00000
Cu6 Cu 0.35925 0.85732 0.10879 1.00000
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