Tm2MgAg10
Alexandria ALEXAlex-ID: agm012008402 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C10_80_spg55
TmAg4 MgAg3 TmAg2
2024-07-18 20:31:44.201355
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012008402).
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 agm012008402
data_agm012008402
_cell_length_a 5.49284
_cell_length_b 5.17915
_cell_length_c 18.49957
_cell_angle_alpha 82.25829
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 521.48409
_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 0.56976 0.67230 0.12816 1.00000
Tm2 Tm 0.43024 0.32770 0.87184 1.00000
Tm3 Tm 0.06976 0.32770 0.37184 1.00000
Tm4 Tm 0.93024 0.67230 0.62816 1.00000
Mg1 Mg 0.50000 0.00000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.04786 0.77443 0.46482 1.00000
Ag2 Ag 0.95214 0.22557 0.53518 1.00000
Ag3 Ag 0.54786 0.22557 0.03518 1.00000
Ag4 Ag 0.45214 0.77443 0.96482 1.00000
Ag5 Ag 0.81911 0.86517 0.31689 1.00000
Ag6 Ag 0.18089 0.13483 0.68311 1.00000
Ag7 Ag 0.90821 0.51890 0.93145 1.00000
Ag8 Ag 0.07316 0.62171 0.21070 1.00000
Ag9 Ag 0.40821 0.48110 0.56855 1.00000
Ag10 Ag 0.57316 0.37829 0.28930 1.00000
Ag11 Ag 0.09179 0.48110 0.06855 1.00000
Ag12 Ag 0.92684 0.37829 0.78930 1.00000
Ag13 Ag 0.59179 0.51890 0.43145 1.00000
Ag14 Ag 0.42684 0.62171 0.71070 1.00000
Ag15 Ag 0.17718 0.85878 0.82699 1.00000
Ag16 Ag 0.82282 0.14122 0.17301 1.00000
Ag17 Ag 0.67718 0.14122 0.67301 1.00000
Ag18 Ag 0.32282 0.85878 0.32699 1.00000
Ag19 Ag 0.68089 0.86517 0.81689 1.00000
Ag20 Ag 0.31911 0.13483 0.18311 1.00000
