LiTb(H3Pt)2
Alexandria ALEXAlex-ID: agm007454757 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_120_spg15
LiTb(H3Pt)2
2024-05-14 00:31:24.911581
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007454757).
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 agm007454757
data_agm007454757
_cell_length_a 5.97846
_cell_length_b 5.97846
_cell_length_c 5.77839
_cell_angle_alpha 79.50510
_cell_angle_beta 79.50510
_cell_angle_gamma 101.89867
_cell_volume 193.46236
_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
Li1 Li 0.40904 0.59096 0.25000 1.00000
Li2 Li 0.59096 0.40904 0.75000 1.00000
Tb1 Tb 0.83525 0.16475 0.25000 1.00000
Tb2 Tb 0.16475 0.83525 0.75000 1.00000
H1 H 0.44507 0.90782 0.37501 1.00000
H2 H 0.09218 0.55493 0.12499 1.00000
H3 H 0.55493 0.09218 0.62499 1.00000
H4 H 0.90782 0.44507 0.87501 1.00000
H5 H 0.18348 0.19439 0.46794 1.00000
H6 H 0.80561 0.81652 0.03206 1.00000
H7 H 0.81652 0.80561 0.53206 1.00000
H8 H 0.19439 0.18348 0.96794 1.00000
H9 H 0.53075 0.31014 0.11317 1.00000
H10 H 0.68986 0.46925 0.38683 1.00000
H11 H 0.46925 0.68986 0.88683 1.00000
H12 H 0.31014 0.53075 0.61317 1.00000
Pt1 Pt 0.05986 0.31827 0.68463 1.00000
Pt2 Pt 0.68173 0.94014 0.81537 1.00000
Pt3 Pt 0.94014 0.68173 0.31537 1.00000
Pt4 Pt 0.31827 0.05986 0.18463 1.00000
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