Th3(CdAg2)2
Alexandria ALEXAlex-ID: agm005602168 · 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
A2B3C4_139_spg2
Th2CdAg3 ThCdAg
2023-06-26 16:22:02.745334
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602168).
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 agm005602168
data_agm005602168
_cell_length_a 4.98593
_cell_length_b 6.00733
_cell_length_c 9.25559
_cell_angle_alpha 118.29947
_cell_angle_beta 90.00000
_cell_angle_gamma 114.51851
_cell_volume 215.27925
_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
Th1 Th 0.66346 0.32692 0.67174 1.00000
Th2 Th 0.00000 0.00000 0.00000 1.00000
Th3 Th 0.33654 0.67308 0.32826 1.00000
Cd1 Cd 0.61766 0.23532 0.28365 1.00000
Cd2 Cd 0.38234 0.76468 0.71635 1.00000
Ag1 Ag 0.72236 0.44472 0.05499 1.00000
Ag2 Ag 0.27764 0.55528 0.94501 1.00000
Ag3 Ag 0.94025 0.88051 0.60643 1.00000
Ag4 Ag 0.05975 0.11949 0.39357 1.00000
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