Pm2AgGe2
Alexandria ALEXAlex-ID: agm005932003 · 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
AB2C2_33_spg12
PmAgGe PmGe
2023-08-03 17:52:28.359938
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005932003).
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 agm005932003
data_agm005932003
_cell_length_a 4.45493
_cell_length_b 5.99023
_cell_length_c 9.66270
_cell_angle_alpha 81.53190
_cell_angle_beta 76.67217
_cell_angle_gamma 68.17025
_cell_volume 232.38116
_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
Pm1 Pm 0.31385 0.27049 0.10180 1.00000
Pm2 Pm 0.50431 0.31567 0.67571 1.00000
Pm3 Pm 0.68615 0.72951 0.89820 1.00000
Pm4 Pm 0.49569 0.68433 0.32429 1.00000
Ag1 Ag 0.77894 0.08535 0.35678 1.00000
Ag2 Ag 0.22106 0.91465 0.64322 1.00000
Ge1 Ge 0.97312 0.16402 0.88975 1.00000
Ge2 Ge 0.13240 0.30734 0.42785 1.00000
Ge3 Ge 0.02688 0.83598 0.11025 1.00000
Ge4 Ge 0.86760 0.69266 0.57215 1.00000
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