GaAg2TeO4
Alexandria ALEXAlex-ID: agm004785643 · 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_385_spg1
Ga2TeO6 Ag TeO2
2022-07-18 19:04:54.192111
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004785643).
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 agm004785643
data_agm004785643
_cell_length_a 5.03514
_cell_length_b 5.63639
_cell_length_c 5.52933
_cell_angle_alpha 119.39102
_cell_angle_beta 114.88394
_cell_angle_gamma 76.37563
_cell_volume 123.94812
_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
Ga1 Ga 0.70130 0.72646 0.46344 1.00000
Ag1 Ag 0.59082 0.06137 0.07720 1.00000
Ag2 Ag 0.29499 0.26624 0.47516 1.00000
Te1 Te 0.08246 0.40233 0.92320 1.00000
O1 O 0.75020 0.64838 0.77778 1.00000
O2 O 0.89490 0.44868 0.21269 1.00000
O3 O 0.30204 0.74280 0.24194 1.00000
O4 O 0.77036 0.09079 0.60269 1.00000
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