Ac5Ge2SN
Alexandria ALEXAlex-ID: agm005149454 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_216_spg36
Ac4GeS3 Ac4Ge3 AcN Ac
2023-01-17 07:28:06.175878
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149454).
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 agm005149454
data_agm005149454
_cell_length_a 4.55841
_cell_length_b 9.71326
_cell_length_c 12.83403
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.57092
_cell_volume 552.38703
_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 0.36958 0.73916 0.00877 1.00000
Ac2 Ac 0.69091 0.38181 0.85662 1.00000
Ac3 Ac 0.49239 0.98479 0.77946 1.00000
Ac4 Ac 0.29189 0.58379 0.66881 1.00000
Ac5 Ac 0.95590 0.91180 0.52148 1.00000
Ac6 Ac 0.63042 0.26084 0.50877 1.00000
Ac7 Ac 0.30909 0.61819 0.35662 1.00000
Ac8 Ac 0.50761 0.01521 0.27946 1.00000
Ac9 Ac 0.70811 0.41621 0.16881 1.00000
Ac10 Ac 0.04410 0.08820 0.02148 1.00000
Ge1 Ge 0.86565 0.73130 0.81166 1.00000
Ge2 Ge 0.11284 0.22569 0.70145 1.00000
Ge3 Ge 0.13435 0.26870 0.31166 1.00000
Ge4 Ge 0.88716 0.77431 0.20145 1.00000
S1 S 0.79296 0.58593 0.50983 1.00000
S2 S 0.20704 0.41407 0.00983 1.00000
N1 N 0.50537 0.01074 0.96587 1.00000
N2 N 0.49463 0.98926 0.46587 1.00000
获取直接链接