Tm6Ga22Pt13
Alexandria ALEXAlex-ID: agm009562341 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A6B13C22_0_spg12
Tm(Ga2Pt)2 Tm4Ga6Pt7 Ga2Pt
2024-12-08 10:30:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009562341).
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 agm009562341
data_agm009562341
_cell_length_a 13.43587
_cell_length_b 13.43587
_cell_length_c 14.01999
_cell_angle_alpha 67.89996
_cell_angle_beta 112.10004
_cell_angle_gamma 162.16054
_cell_volume 716.92488
_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 0.54638 0.45362 0.70030 1.00000
Tm2 Tm 0.16642 0.83358 0.52749 1.00000
Tm3 Tm 0.45362 0.54638 0.29970 1.00000
Tm4 Tm 0.83358 0.16642 0.47251 1.00000
Tm5 Tm 0.18121 0.81879 0.08304 1.00000
Tm6 Tm 0.81879 0.18121 0.91696 1.00000
Ga1 Ga 0.67613 0.32387 0.72041 1.00000
Ga2 Ga 0.12518 0.87482 0.83631 1.00000
Ga3 Ga 0.32387 0.67613 0.27959 1.00000
Ga4 Ga 0.56848 0.43152 0.50494 1.00000
Ga5 Ga 0.14344 0.85656 0.28156 1.00000
Ga6 Ga 0.27136 0.72864 0.75591 1.00000
Ga7 Ga 0.76225 0.23775 0.08779 1.00000
Ga8 Ga 0.59357 0.40643 0.95615 1.00000
Ga9 Ga 0.94518 0.05482 0.93320 1.00000
Ga10 Ga 0.04216 0.95784 0.34282 1.00000
Ga11 Ga 0.23775 0.76225 0.91221 1.00000
Ga12 Ga 0.28696 0.71304 0.56767 1.00000
Ga13 Ga 0.43152 0.56848 0.49506 1.00000
Ga14 Ga 0.71304 0.28696 0.43233 1.00000
Ga15 Ga 0.72864 0.27136 0.24409 1.00000
Ga16 Ga 0.05482 0.94518 0.06680 1.00000
Ga17 Ga 0.40643 0.59357 0.04385 1.00000
Ga18 Ga 0.47292 0.52708 0.82258 1.00000
Ga19 Ga 0.87482 0.12518 0.16369 1.00000
Ga20 Ga 0.52708 0.47292 0.17742 1.00000
Ga21 Ga 0.85656 0.14344 0.71844 1.00000
Ga22 Ga 0.95784 0.04216 0.65718 1.00000
Pt1 Pt 0.38351 0.61649 0.84799 1.00000
Pt2 Pt 0.10466 0.89534 0.64298 1.00000
Pt3 Pt 0.96631 0.03369 0.13463 1.00000
Pt4 Pt 0.60615 0.39385 0.36094 1.00000
Pt5 Pt 0.89534 0.10466 0.35702 1.00000
Pt6 Pt 0.75034 0.24966 0.64051 1.00000
Pt7 Pt 0.00000 0.00000 0.50000 1.00000
Pt8 Pt 0.68112 0.31888 0.91056 1.00000
Pt9 Pt 0.31888 0.68112 0.08944 1.00000
Pt10 Pt 0.61649 0.38351 0.15201 1.00000
Pt11 Pt 0.03369 0.96631 0.86537 1.00000
Pt12 Pt 0.24966 0.75034 0.35949 1.00000
Pt13 Pt 0.39385 0.60615 0.63906 1.00000
