SrB4(SbO5)2
Alexandria ALEXAlex-ID: agm020028016 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D10_15_spg2
B3SbO6 Sr4B14O25 Sb2O3
2024-11-03 10:34:26.694551
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020028016).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm020028016
data_agm020028016
_cell_length_a 6.94219
_cell_length_b 7.15488
_cell_length_c 9.79440
_cell_angle_alpha 97.68012
_cell_angle_beta 109.89353
_cell_angle_gamma 99.68055
_cell_volume 441.28579
_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
Sr1 Sr 0.03219 0.85411 0.15914 1.00000
Sr2 Sr 0.96781 0.14589 0.84086 1.00000
B1 B 0.40749 0.20263 0.08213 1.00000
B2 B 0.59251 0.79737 0.91787 1.00000
B3 B 0.84837 0.62278 0.36375 1.00000
B4 B 0.15163 0.37722 0.63625 1.00000
B5 B 0.42286 0.76074 0.09652 1.00000
B6 B 0.19679 0.68808 0.82236 1.00000
B7 B 0.80321 0.31192 0.17764 1.00000
B8 B 0.57714 0.23926 0.90348 1.00000
Sb1 Sb 0.74595 0.65263 0.65287 1.00000
Sb2 Sb 0.25405 0.34737 0.34713 1.00000
Sb3 Sb 0.69677 0.99922 0.40310 1.00000
Sb4 Sb 0.30323 0.00078 0.59690 1.00000
O1 O 0.10005 0.17424 0.62128 1.00000
O2 O 0.66296 0.89006 0.57813 1.00000
O3 O 0.60577 0.78772 0.06459 1.00000
O4 O 0.39835 0.76155 0.80852 1.00000
O5 O 0.60165 0.23845 0.19148 1.00000
O6 O 0.33704 0.10994 0.42187 1.00000
O7 O 0.22490 0.15663 0.10371 1.00000
O8 O 0.77317 0.29284 0.01466 1.00000
O9 O 0.22683 0.70716 0.98534 1.00000
O10 O 0.77185 0.53696 0.45587 1.00000
O11 O 0.88592 0.52377 0.24610 1.00000
O12 O 0.95178 0.19936 0.25090 1.00000
O13 O 0.56189 0.20283 0.75800 1.00000
O14 O 0.77510 0.84337 0.89629 1.00000
O15 O 0.11408 0.47623 0.75390 1.00000
O16 O 0.22815 0.46304 0.54413 1.00000
O17 O 0.04822 0.80064 0.74910 1.00000
O18 O 0.89995 0.82576 0.37872 1.00000
O19 O 0.43811 0.79717 0.24200 1.00000
O20 O 0.39423 0.21228 0.93541 1.00000
