Pr8TcAg2
Alexandria ALEXAlex-ID: agm003530240 · 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
AB2C8_572_spg12
Pr Tc PrAg
2022-03-18 08:49:01.506807
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003530240).
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 agm003530240
data_agm003530240
_cell_length_a 5.32036
_cell_length_b 7.23954
_cell_length_c 9.37122
_cell_angle_alpha 104.07286
_cell_angle_beta 106.49113
_cell_angle_gamma 90.00000
_cell_volume 334.78918
_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
Pr1 Pr 0.40973 0.55158 0.81946 1.00000
Pr2 Pr 0.65655 0.97550 0.31311 1.00000
Pr3 Pr 0.79777 0.68835 0.59555 1.00000
Pr4 Pr 0.97942 0.21455 0.95884 1.00000
Pr5 Pr 0.20223 0.31165 0.40445 1.00000
Pr6 Pr 0.34345 0.02450 0.68689 1.00000
Pr7 Pr 0.59027 0.44842 0.18054 1.00000
Pr8 Pr 0.02058 0.78545 0.04116 1.00000
Tc1 Tc 0.50000 0.00000 0.00000 1.00000
Ag1 Ag 0.81535 0.27878 0.63070 1.00000
Ag2 Ag 0.18465 0.72122 0.36930 1.00000
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