Ti3Sb(PO4)6
Alexandria ALEXAlex-ID: agm021028343 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D24_0_spg146
TiSb(PO4)3 TiO4 Ti5(PO5)4 TiP2O7
2024-10-31 11:25:35.761460
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021028343).
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 agm021028343
data_agm021028343
_cell_length_a 8.93605
_cell_length_b 8.93605
_cell_length_c 8.93605
_cell_angle_alpha 57.47587
_cell_angle_beta 57.47587
_cell_angle_gamma 57.47587
_cell_volume 475.27461
_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
Ti1 Ti 0.14278 0.14278 0.14278 1.00000
Ti2 Ti 0.35728 0.35728 0.35728 1.00000
Ti3 Ti 0.64059 0.64059 0.64059 1.00000
Sb1 Sb 0.85474 0.85474 0.85474 1.00000
P1 P 0.03355 0.46747 0.74705 1.00000
P2 P 0.46747 0.74705 0.03355 1.00000
P3 P 0.74705 0.03355 0.46747 1.00000
P4 P 0.24803 0.96708 0.53353 1.00000
P5 P 0.53353 0.24803 0.96708 1.00000
P6 P 0.96708 0.53353 0.24803 1.00000
O1 O 0.13481 0.50137 0.28154 1.00000
O2 O 0.28154 0.13481 0.50137 1.00000
O3 O 0.04971 0.30307 0.93388 1.00000
O4 O 0.50137 0.28154 0.13481 1.00000
O5 O 0.21601 0.42172 0.58199 1.00000
O6 O 0.02170 0.65127 0.74322 1.00000
O7 O 0.30307 0.93388 0.04971 1.00000
O8 O 0.42172 0.58199 0.21601 1.00000
O9 O 0.58199 0.21601 0.42172 1.00000
O10 O 0.23376 0.99251 0.35726 1.00000
O11 O 0.05799 0.96327 0.70539 1.00000
O12 O 0.35726 0.23376 0.99251 1.00000
O13 O 0.65127 0.74322 0.02170 1.00000
O14 O 0.93388 0.04971 0.30307 1.00000
O15 O 0.74322 0.02170 0.65127 1.00000
O16 O 0.41123 0.78220 0.58200 1.00000
O17 O 0.58200 0.41123 0.78220 1.00000
O18 O 0.70539 0.05799 0.96327 1.00000
O19 O 0.99251 0.35726 0.23376 1.00000
O20 O 0.78220 0.58200 0.41123 1.00000
O21 O 0.50039 0.71946 0.86233 1.00000
O22 O 0.96327 0.70539 0.05799 1.00000
O23 O 0.71946 0.86233 0.50039 1.00000
O24 O 0.86233 0.50039 0.71946 1.00000
