Ac7Ge4C
Alexandria ALEXAlex-ID: agm003664541 · 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
AB4C7_98_spg12
Ac4Ge3 Ac AcC2
2022-04-08 16:35:09.762545
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003664541).
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 agm003664541
data_agm003664541
_cell_length_a 5.29676
_cell_length_b 9.98339
_cell_length_c 8.59692
_cell_angle_alpha 77.17072
_cell_angle_beta 72.05754
_cell_angle_gamma 74.61648
_cell_volume 412.08904
_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 0.78567 0.86200 0.56667 1.00000
Ac2 Ac 0.21433 0.13800 0.43333 1.00000
Ac3 Ac 0.06951 0.74368 0.11731 1.00000
Ac4 Ac 0.93049 0.25632 0.88269 1.00000
Ac5 Ac 0.36114 0.53786 0.73987 1.00000
Ac6 Ac 0.50000 0.00000 0.00000 1.00000
Ac7 Ac 0.63886 0.46214 0.26013 1.00000
Ge1 Ge 0.57983 0.22257 0.61776 1.00000
Ge2 Ge 0.42017 0.77743 0.38224 1.00000
Ge3 Ge 0.72276 0.65797 0.89650 1.00000
Ge4 Ge 0.27724 0.34203 0.10350 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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