K2GaTeO4
Alexandria ALEXAlex-ID: agm004785656 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_721_spg42
KGa9O14 K2Te5 K2TeO3 KGaO2
2022-07-18 20:36:28.615571
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004785656).
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}
}
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# CIF generated by HEAS from Alexandria entry agm004785656
data_agm004785656
_cell_length_a 6.47236
_cell_length_b 6.04683
_cell_length_c 6.07640
_cell_angle_alpha 115.04098
_cell_angle_beta 129.01332
_cell_angle_gamma 94.21012
_cell_volume 146.61026
_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 0.45118 0.93984 0.90199 1.00000
K2 K 0.22067 0.25529 0.46950 1.00000
Ga1 Ga 0.75019 0.74453 0.50232 1.00000
Te1 Te 0.93791 0.43762 0.83394 1.00000
O1 O 0.79871 0.75145 0.84632 1.00000
O2 O 0.86132 0.47627 0.39769 1.00000
O3 O 0.35801 0.69348 0.13612 1.00000
O4 O 0.00907 0.08856 0.68624 1.00000
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