Na3Ga3Ge3AuClO12
Alexandria ALEXAlex-ID: agm010318679 · 空间群: Cc (#9)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3D3E3F12_0_spg9
NaGaGe3O8 NaAuCl3 Ga4GeO8 Na4Ga3Ge3ClO12 Au2O3 Au
2025-03-05 09:56:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010318679).
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 agm010318679
data_agm010318679
_cell_length_a 9.26829
_cell_length_b 9.26829
_cell_length_c 9.26351
_cell_angle_alpha 89.83341
_cell_angle_beta 90.16659
_cell_angle_gamma 90.21457
_cell_volume 795.73431
_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
Na1 Na 0.32221 0.17255 0.81850 1.00000
Na2 Na 0.17768 0.32426 0.32148 1.00000
Na3 Na 0.82745 0.67779 0.31850 1.00000
Na4 Na 0.82126 0.32181 0.67345 1.00000
Na5 Na 0.67574 0.82232 0.82148 1.00000
Na6 Na 0.67819 0.17874 0.17345 1.00000
Ga1 Ga 0.49878 0.50310 0.24727 1.00000
Ga2 Ga 0.24653 0.99758 0.49881 1.00000
Ga3 Ga 0.99894 0.24890 0.99641 1.00000
Ga4 Ga 0.00242 0.75347 0.99881 1.00000
Ga5 Ga 0.75110 0.00106 0.49641 1.00000
Ga6 Ga 0.49690 0.50122 0.74727 1.00000
Ge1 Ge 0.50226 0.74622 0.49980 1.00000
Ge2 Ge 0.25378 0.49774 0.99980 1.00000
Ge3 Ge 0.00237 0.99884 0.74697 1.00000
Ge4 Ge 0.00116 0.99763 0.24697 1.00000
Ge5 Ge 0.74968 0.49915 0.99679 1.00000
Ge6 Ge 0.50085 0.25032 0.49679 1.00000
Au1 Au 0.42632 0.92032 0.20463 1.00000
Au2 Au 0.07968 0.57368 0.70463 1.00000
Cl1 Cl 0.50796 0.00730 0.98738 1.00000
Cl2 Cl 0.99270 0.49204 0.48738 1.00000
O1 O 0.41980 0.64914 0.63905 1.00000
O2 O 0.42066 0.35322 0.35699 1.00000
O3 O 0.36301 0.85326 0.41250 1.00000
O4 O 0.36391 0.14200 0.57519 1.00000
O5 O 0.35086 0.58020 0.13905 1.00000
O6 O 0.35714 0.41543 0.86291 1.00000
O7 O 0.14674 0.63699 0.91250 1.00000
O8 O 0.14310 0.36239 0.07766 1.00000
O9 O 0.14326 0.92028 0.64833 1.00000
O10 O 0.13566 0.08116 0.35506 1.00000
O11 O 0.07972 0.85674 0.14833 1.00000
O12 O 0.07972 0.14154 0.84959 1.00000
O13 O 0.91884 0.86434 0.85506 1.00000
O14 O 0.92149 0.13867 0.14452 1.00000
O15 O 0.85846 0.92028 0.34959 1.00000
O16 O 0.86133 0.07851 0.64452 1.00000
O17 O 0.85800 0.63609 0.07519 1.00000
O18 O 0.84654 0.35406 0.91956 1.00000
O19 O 0.64678 0.57934 0.85699 1.00000
O20 O 0.64684 0.42314 0.13911 1.00000
O21 O 0.63761 0.85690 0.57766 1.00000
O22 O 0.64594 0.15346 0.41956 1.00000
O23 O 0.58457 0.64286 0.36291 1.00000
O24 O 0.57686 0.35316 0.63911 1.00000
