K2LaIn(GeO3)4
Alexandria ALEXAlex-ID: agm011367544 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4E12_5_spg5
K3LaGe2O7 K4Ge9O20 La2Ge2O7 In2O3
2024-04-08 01:51:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011367544).
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 agm011367544
data_agm011367544
_cell_length_a 7.35225
_cell_length_b 7.35225
_cell_length_c 5.76571
_cell_angle_alpha 79.64957
_cell_angle_beta 79.64957
_cell_angle_gamma 86.27266
_cell_volume 301.43560
_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
K1 K 0.31719 0.68281 0.00000 1.00000
K2 K 0.67530 0.32470 0.50000 1.00000
La1 La 0.89050 0.10950 0.00000 1.00000
In1 In 0.11426 0.88574 0.50000 1.00000
Ge1 Ge 0.80503 0.63500 0.95796 1.00000
Ge2 Ge 0.36500 0.19497 0.04204 1.00000
Ge3 Ge 0.19737 0.37223 0.52751 1.00000
Ge4 Ge 0.62777 0.80263 0.47249 1.00000
O1 O 0.88915 0.41267 0.03943 1.00000
O2 O 0.58733 0.11085 0.96057 1.00000
O3 O 0.10956 0.59776 0.45540 1.00000
O4 O 0.40224 0.89044 0.54460 1.00000
O5 O 0.66464 0.63135 0.73169 1.00000
O6 O 0.36865 0.33536 0.26831 1.00000
O7 O 0.31611 0.35797 0.78057 1.00000
O8 O 0.64203 0.68389 0.21943 1.00000
O9 O 0.97246 0.80814 0.86688 1.00000
O10 O 0.19186 0.02754 0.13312 1.00000
O11 O 0.04752 0.18402 0.58863 1.00000
O12 O 0.81598 0.95248 0.41137 1.00000
获取直接链接