TaSbO4
Alexandria ALEXAlex-ID: agm002173733 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_38_spg36
TaSbO4
2018-06-15 18:27:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002173733).
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 agm002173733
data_agm002173733
_cell_length_a 3.94919
_cell_length_b 5.81442
_cell_length_c 7.74617
_cell_angle_alpha 90.00000
_cell_angle_beta 104.76527
_cell_angle_gamma 90.00000
_cell_volume 171.99590
_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
Sb1 Sb 0.82285 0.71284 0.64570 1.00000
Sb2 Sb 0.17715 0.21284 0.35430 1.00000
O1 O 0.89904 0.36818 0.79820 1.00000
O2 O 0.69592 0.60042 0.39163 1.00000
O3 O 0.67754 0.07101 0.35503 1.00000
O4 O 0.51131 0.53891 0.02265 1.00000
O5 O 0.48869 0.03891 0.97735 1.00000
O6 O 0.32246 0.57101 0.64497 1.00000
O7 O 0.30408 0.10042 0.60837 1.00000
O8 O 0.10096 0.86818 0.20180 1.00000
Ta1 Ta 0.58878 0.79344 0.17748 1.00000
Ta2 Ta 0.41122 0.29344 0.82252 1.00000
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