Tm12InPt7
Alexandria ALEXAlex-ID: agm013202916 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_8_spg140
Tm12InPt7
2024-11-07 19:59:11.462013
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013202916).
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 agm013202916
data_agm013202916
_cell_length_a 10.82282
_cell_length_b 10.82282
_cell_length_c 10.82282
_cell_angle_alpha 116.34912
_cell_angle_beta 116.34912
_cell_angle_gamma 96.44911
_cell_volume 939.42898
_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 0.07267 0.93827 0.71956 1.00000
Tm2 Tm 0.78129 0.64688 0.71956 1.00000
Tm3 Tm 0.92733 0.06173 0.28044 1.00000
Tm4 Tm 0.57267 0.85312 0.13440 1.00000
Tm5 Tm 0.64688 0.92733 0.86560 1.00000
Tm6 Tm 0.06173 0.78129 0.13440 1.00000
Tm7 Tm 0.28129 0.56173 0.13440 1.00000
Tm8 Tm 0.56173 0.42733 0.28044 1.00000
Tm9 Tm 0.14688 0.28129 0.71956 1.00000
Tm10 Tm 0.21871 0.35312 0.28044 1.00000
Tm11 Tm 0.67795 0.82205 0.50000 1.00000
Tm12 Tm 0.42733 0.14688 0.86560 1.00000
Tm13 Tm 0.35312 0.07267 0.13440 1.00000
Tm14 Tm 0.93827 0.21871 0.86560 1.00000
Tm15 Tm 0.63326 0.13326 0.50000 1.00000
Tm16 Tm 0.13326 0.63326 0.50000 1.00000
Tm17 Tm 0.86674 0.36674 0.50000 1.00000
Tm18 Tm 0.36674 0.86674 0.50000 1.00000
Tm19 Tm 0.82205 0.32205 0.14411 1.00000
Tm20 Tm 0.43827 0.57267 0.71956 1.00000
Tm21 Tm 0.17795 0.67795 0.85589 1.00000
Tm22 Tm 0.32205 0.17795 0.50000 1.00000
Tm23 Tm 0.71871 0.43827 0.86560 1.00000
Tm24 Tm 0.85312 0.71871 0.28044 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
In2 In 0.50000 0.50000 0.00000 1.00000
Pt1 Pt 0.36245 0.86245 0.84110 1.00000
Pt2 Pt 0.63755 0.13755 0.15890 1.00000
Pt3 Pt 0.97866 0.47866 0.84110 1.00000
Pt4 Pt 0.52134 0.36245 0.50000 1.00000
Pt5 Pt 0.13755 0.97866 0.50000 1.00000
Pt6 Pt 0.47866 0.63755 0.50000 1.00000
Pt7 Pt 0.12884 0.37116 0.50000 1.00000
Pt8 Pt 0.37116 0.87116 0.24231 1.00000
Pt9 Pt 0.62884 0.12884 0.75769 1.00000
Pt10 Pt 0.87116 0.62884 0.50000 1.00000
Pt11 Pt 0.75000 0.75000 0.00000 1.00000
Pt12 Pt 0.25000 0.25000 0.00000 1.00000
Pt13 Pt 0.02134 0.52134 0.15890 1.00000
Pt14 Pt 0.86245 0.02134 0.50000 1.00000
