K2SrNbB5O12
Alexandria ALEXAlex-ID: agm010367403 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5E12_0_spg4
KSrB5O9 K3Nb3(BO6)2 K2B4O7 KSr2Nb3O10
2024-11-03 12:18:08.931427
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010367403).
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 agm010367403
data_agm010367403
_cell_length_a 8.80689
_cell_length_b 6.76306
_cell_length_c 10.27985
_cell_angle_alpha 80.19916
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 603.34772
_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
K1 K 0.66278 0.39062 0.89039 1.00000
K2 K 0.16278 0.60938 0.10961 1.00000
K3 K 0.60314 0.65918 0.22549 1.00000
K4 K 0.10314 0.34082 0.77451 1.00000
Sr1 Sr 0.16753 0.09383 0.47736 1.00000
Sr2 Sr 0.66753 0.90617 0.52264 1.00000
Nb1 Nb 0.40377 0.15617 0.17964 1.00000
Nb2 Nb 0.90377 0.84383 0.82036 1.00000
B1 B 0.43371 0.15319 0.68405 1.00000
B2 B 0.93371 0.84681 0.31595 1.00000
B3 B 0.64114 0.37559 0.56787 1.00000
B4 B 0.14114 0.62441 0.43213 1.00000
B5 B 0.37866 0.51229 0.57823 1.00000
B6 B 0.87866 0.48771 0.42177 1.00000
B7 B 0.87466 0.22309 0.26302 1.00000
B8 B 0.37466 0.77691 0.73698 1.00000
B9 B 0.38555 0.96976 0.91536 1.00000
B10 B 0.88555 0.03024 0.08464 1.00000
O1 O 0.51865 0.02568 0.31953 1.00000
O2 O 0.01865 0.97432 0.68047 1.00000
O3 O 0.40064 0.95072 0.64554 1.00000
O4 O 0.90064 0.04928 0.35446 1.00000
O5 O 0.86168 0.21120 0.12881 1.00000
O6 O 0.36168 0.78880 0.87119 1.00000
O7 O 0.37758 0.96562 0.04958 1.00000
O8 O 0.87758 0.03438 0.95042 1.00000
O9 O 0.22301 0.23700 0.24485 1.00000
O10 O 0.72301 0.76300 0.75515 1.00000
O11 O 0.41156 0.14376 0.82842 1.00000
O12 O 0.91156 0.85624 0.17158 1.00000
O13 O 0.33496 0.29909 0.60481 1.00000
O14 O 0.83496 0.70091 0.39519 1.00000
O15 O 0.49656 0.38730 0.10239 1.00000
O16 O 0.99656 0.61270 0.89761 1.00000
O17 O 0.59489 0.20079 0.65033 1.00000
O18 O 0.09489 0.79921 0.34967 1.00000
O19 O 0.54288 0.53541 0.53375 1.00000
O20 O 0.04288 0.46459 0.46625 1.00000
O21 O 0.86002 0.40723 0.29645 1.00000
O22 O 0.36002 0.59277 0.70355 1.00000
O23 O 0.78805 0.37249 0.52690 1.00000
O24 O 0.28805 0.62751 0.47310 1.00000
