Sr4Nb3PO14
Alexandria ALEXAlex-ID: agm005248167 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D14_26_spg1
Sr3(PO4)2 SrNb2O6 Sr2Nb2O7
2023-05-09 04:43:12.484099
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005248167).
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 agm005248167
data_agm005248167
_cell_length_a 4.08211
_cell_length_b 5.74810
_cell_length_c 13.49069
_cell_angle_alpha 93.71364
_cell_angle_beta 98.53241
_cell_angle_gamma 89.90025
_cell_volume 312.37918
_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 0.70419 0.92313 0.41661 1.00000
Sr2 Sr 0.28501 0.46542 0.59064 1.00000
Sr3 Sr 0.51581 0.53183 0.10203 1.00000
Sr4 Sr 0.46662 0.06606 0.91926 1.00000
Nb1 Nb 0.14211 0.43754 0.31706 1.00000
Nb2 Nb 0.80739 0.02168 0.67736 1.00000
Nb3 Nb 0.95768 0.58384 0.87643 1.00000
P1 P 0.99675 0.96776 0.13358 1.00000
O1 O 0.62069 0.98652 0.12213 1.00000
O2 O 0.45010 0.61865 0.89613 1.00000
O3 O 0.12980 0.21652 0.17895 1.00000
O4 O 0.91054 0.90325 0.82180 1.00000
O5 O 0.18794 0.18673 0.39403 1.00000
O6 O 0.79124 0.74161 0.59915 1.00000
O7 O 0.77843 0.21286 0.56561 1.00000
O8 O 0.21351 0.66900 0.42334 1.00000
O9 O 0.06340 0.89029 0.02462 1.00000
O10 O 0.97496 0.38300 0.98417 1.00000
O11 O 0.11157 0.76269 0.20285 1.00000
O12 O 0.89296 0.37963 0.76478 1.00000
O13 O 0.65384 0.47496 0.29435 1.00000
O14 O 0.34539 0.05679 0.69506 1.00000
