ErTm2Ni3
Alexandria ALEXAlex-ID: agm034266686 · 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_36_spg70
Er3TmNi4 TmNi
2024-12-03 12:45:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034266686).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm034266686
data_agm034266686
_cell_length_a 5.35436
_cell_length_b 7.37625
_cell_length_c 12.99861
_cell_angle_alpha 73.68177
_cell_angle_beta 84.37950
_cell_angle_gamma 69.81275
_cell_volume 462.43341
_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
Er1 Er 0.78003 0.88812 0.58346 1.00000
Er2 Er 0.21997 0.11188 0.41654 1.00000
Er3 Er 0.21977 0.27795 0.08349 1.00000
Er4 Er 0.78023 0.72205 0.91651 1.00000
Tm1 Tm 0.22026 0.44421 0.75012 1.00000
Tm2 Tm 0.77965 0.38855 0.58335 1.00000
Tm3 Tm 0.22035 0.61145 0.41665 1.00000
Tm4 Tm 0.77974 0.55579 0.24988 1.00000
Tm5 Tm 0.77932 0.05487 0.25008 1.00000
Tm6 Tm 0.22060 0.77846 0.08346 1.00000
Tm7 Tm 0.77940 0.22154 0.91654 1.00000
Tm8 Tm 0.22068 0.94513 0.74992 1.00000
Ni1 Ni 0.35383 0.24576 0.58358 1.00000
Ni2 Ni 0.35487 0.74329 0.58358 1.00000
Ni3 Ni 0.64617 0.75424 0.41642 1.00000
Ni4 Ni 0.64513 0.25671 0.41642 1.00000
Ni5 Ni 0.35479 0.41263 0.25008 1.00000
Ni6 Ni 0.35443 0.91022 0.25011 1.00000
Ni7 Ni 0.64492 0.42192 0.08345 1.00000
Ni8 Ni 0.64636 0.92200 0.08346 1.00000
Ni9 Ni 0.35508 0.57808 0.91655 1.00000
Ni10 Ni 0.35364 0.07800 0.91654 1.00000
Ni11 Ni 0.64521 0.58737 0.74992 1.00000
Ni12 Ni 0.64557 0.08978 0.74989 1.00000
