Tm2NiH7
Alexandria ALEXAlex-ID: agm006200855 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_484_spg166
TmNiH4 TmH3
2023-11-24 22:30:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200855).
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 agm006200855
data_agm006200855
_cell_length_a 4.64992
_cell_length_b 4.64954
_cell_length_c 6.70663
_cell_angle_alpha 110.20923
_cell_angle_beta 69.76436
_cell_angle_gamma 119.99975
_cell_volume 115.13523
_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
H1 H 0.09899 0.75364 0.14355 1.00000
H2 H 0.84759 0.95805 0.85011 1.00000
H3 H 0.37122 0.48168 0.85014 1.00000
H4 H 0.09891 0.22983 0.14353 1.00000
H5 H 0.47322 0.85533 0.49675 1.00000
H6 H 0.57519 0.22978 0.14350 1.00000
H7 H 0.84756 0.48166 0.85010 1.00000
Tm1 Tm 0.36157 0.96765 0.83169 1.00000
Tm2 Tm 0.58496 0.74385 0.16181 1.00000
Ni1 Ni 0.97319 0.35592 0.99699 1.00000
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