Ac3Ge
Alexandria ALEXAlex-ID: agm005543412 · 空间群: P4_2/n (#86)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_281_spg86
Ac4Ge3 Ac
2023-05-28 18:22:16.135691
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005543412).
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 agm005543412
data_agm005543412
_cell_length_a 6.59689
_cell_length_b 13.36123
_cell_length_c 13.36123
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1177.69237
_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
Ac1 Ac 0.01363 0.27958 0.82358 1.00000
Ac2 Ac 0.01363 0.72042 0.17642 1.00000
Ac3 Ac 0.51363 0.67642 0.77958 1.00000
Ac4 Ac 0.51363 0.32358 0.22042 1.00000
Ac5 Ac 0.48637 0.22042 0.67642 1.00000
Ac6 Ac 0.48637 0.77958 0.32358 1.00000
Ac7 Ac 0.98637 0.82358 0.72042 1.00000
Ac8 Ac 0.98637 0.17642 0.27958 1.00000
Ac9 Ac 0.52018 0.38528 0.91811 1.00000
Ac10 Ac 0.52018 0.61472 0.08189 1.00000
Ac11 Ac 0.02018 0.58189 0.88528 1.00000
Ac12 Ac 0.02018 0.41811 0.11472 1.00000
Ac13 Ac 0.97982 0.11472 0.58189 1.00000
Ac14 Ac 0.97982 0.88528 0.41811 1.00000
Ac15 Ac 0.47982 0.91811 0.61472 1.00000
Ac16 Ac 0.47982 0.08189 0.38528 1.00000
Ac17 Ac 0.73397 0.03303 0.86466 1.00000
Ac18 Ac 0.73397 0.96697 0.13534 1.00000
Ac19 Ac 0.23397 0.63534 0.53303 1.00000
Ac20 Ac 0.23397 0.36466 0.46697 1.00000
Ac21 Ac 0.76603 0.46697 0.63534 1.00000
Ac22 Ac 0.76603 0.53303 0.36466 1.00000
Ac23 Ac 0.26603 0.86466 0.96697 1.00000
Ac24 Ac 0.26603 0.13534 0.03303 1.00000
Ge1 Ge 0.77511 0.79813 0.95705 1.00000
Ge2 Ge 0.77511 0.20187 0.04295 1.00000
Ge3 Ge 0.27511 0.54295 0.29813 1.00000
Ge4 Ge 0.27511 0.45705 0.70187 1.00000
Ge5 Ge 0.72489 0.70187 0.54295 1.00000
Ge6 Ge 0.72489 0.29813 0.45705 1.00000
Ge7 Ge 0.22489 0.95705 0.20187 1.00000
Ge8 Ge 0.22489 0.04295 0.79813 1.00000
