BaGa2TeO8
Alexandria ALEXAlex-ID: agm004900749 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_549_spg2
BaTeO4 Ga2TeO6 BaO10 Ga2O3
2023-01-03 01:53:05.505741
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004900749).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm004900749
data_agm004900749
_cell_length_a 4.60172
_cell_length_b 4.65671
_cell_length_c 7.65003
_cell_angle_alpha 94.63159
_cell_angle_beta 90.19201
_cell_angle_gamma 88.02312
_cell_volume 163.29887
_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
Ba1 Ba 0.00000 0.00000 0.50000 1.00000
Ga1 Ga 0.49706 0.48579 0.81520 1.00000
Ga2 Ga 0.50294 0.51421 0.18480 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
O1 O 0.20495 0.82422 0.18820 1.00000
O2 O 0.70596 0.70252 0.00116 1.00000
O3 O 0.80437 0.22157 0.20016 1.00000
O4 O 0.79505 0.17578 0.81180 1.00000
O5 O 0.29404 0.29748 0.99884 1.00000
O6 O 0.19563 0.77843 0.79984 1.00000
O7 O 0.47596 0.61783 0.44059 1.00000
O8 O 0.52404 0.38217 0.55941 1.00000
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