Tm3(CuAg2)2
Alexandria ALEXAlex-ID: agm005686274 · 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
A2B3C4_422_spg15
TmCu2 TmAg2
2023-06-26 22:56:13.821190
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686274).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005686274
data_agm005686274
_cell_length_a 5.15669
_cell_length_b 8.73071
_cell_length_c 8.73071
_cell_angle_alpha 76.45016
_cell_angle_beta 77.99542
_cell_angle_gamma 77.99542
_cell_volume 368.49322
_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 0.15319 0.97436 0.67156 1.00000
Tm2 Tm 0.34681 0.32844 0.02564 1.00000
Tm3 Tm 0.84681 0.02564 0.32844 1.00000
Tm4 Tm 0.65319 0.67156 0.97436 1.00000
Tm5 Tm 0.25000 0.38664 0.61336 1.00000
Tm6 Tm 0.75000 0.61336 0.38664 1.00000
Cu1 Cu 0.20035 0.73996 0.44927 1.00000
Cu2 Cu 0.29965 0.55073 0.26004 1.00000
Cu3 Cu 0.79965 0.26004 0.55073 1.00000
Cu4 Cu 0.70035 0.44927 0.73996 1.00000
Ag1 Ag 0.54890 0.06136 0.82393 1.00000
Ag2 Ag 0.95110 0.17607 0.93864 1.00000
Ag3 Ag 0.45110 0.93864 0.17607 1.00000
Ag4 Ag 0.04890 0.82393 0.06136 1.00000
Ag5 Ag 0.72837 0.79163 0.63596 1.00000
Ag6 Ag 0.77163 0.36404 0.20837 1.00000
Ag7 Ag 0.27163 0.20837 0.36404 1.00000
Ag8 Ag 0.22837 0.63596 0.79163 1.00000
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