Th(NiAg3)2
Alexandria ALEXAlex-ID: agm097204826 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_635_spg12
Th2Ni7 ThNiAg Ag
2025-04-07 03:03:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097204826).
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 agm097204826
data_agm097204826
_cell_length_a 3.95342
_cell_length_b 6.27449
_cell_length_c 6.73320
_cell_angle_alpha 95.56538
_cell_angle_beta 90.00312
_cell_angle_gamma 89.99769
_cell_volume 166.23424
_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 0.11108 0.22224 0.69442 1.00000
Ni1 Ni 0.61088 0.08341 0.93771 1.00000
Ni2 Ni 0.61097 0.36104 0.45104 1.00000
Ag1 Ag 0.61118 0.50208 0.06774 1.00000
Ag2 Ag 0.11119 0.64360 0.39704 1.00000
Ag3 Ag 0.61121 0.72217 0.69449 1.00000
Ag4 Ag 0.61119 0.94237 0.32120 1.00000
Ag5 Ag 0.11115 0.80089 0.99194 1.00000
Ag6 Ag 0.11116 0.22221 0.19441 1.00000
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