Be4SbO7
Alexandria ALEXAlex-ID: agm006043540 · Space group: F-43m (#216)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_6_spg216
BeO6 Sb2O5 BeO
2023-08-13 01:36:40.583016
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006043540).
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 agm006043540
data_agm006043540
_cell_length_a 5.46117
_cell_length_b 5.46117
_cell_length_c 5.46117
_cell_angle_alpha 60.00000
_cell_angle_beta 59.99999
_cell_angle_gamma 60.00000
_cell_volume 115.17064
_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
Be1 Be 0.37353 0.87942 0.37353 1.00000
Be2 Be 0.37353 0.37353 0.87942 1.00000
Be3 Be 0.87942 0.37353 0.37353 1.00000
Be4 Be 0.37353 0.37353 0.37353 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
O1 O 0.25865 0.74135 0.74135 1.00000
O2 O 0.74135 0.74135 0.25865 1.00000
O3 O 0.25865 0.74135 0.25865 1.00000
O4 O 0.25000 0.25000 0.25000 1.00000
O5 O 0.74135 0.25865 0.25865 1.00000
O6 O 0.74135 0.25865 0.74135 1.00000
O7 O 0.25865 0.25865 0.74135 1.00000
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