AlSb3(PO4)6
Alexandria ALEXAlex-ID: agm021004387 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D24_0_spg146
SbPO5 Al(PO3)3
2024-12-31 19:01:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021004387).
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 agm021004387
data_agm021004387
_cell_length_a 8.89608
_cell_length_b 8.89608
_cell_length_c 8.89608
_cell_angle_alpha 56.06270
_cell_angle_beta 56.06270
_cell_angle_gamma 56.06270
_cell_volume 452.43260
_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
Al1 Al 0.14309 0.14309 0.14309 1.00000
Sb1 Sb 0.85712 0.85712 0.85712 1.00000
Sb2 Sb 0.64858 0.64858 0.64858 1.00000
Sb3 Sb 0.35155 0.35155 0.35155 1.00000
P1 P 0.24684 0.96621 0.53194 1.00000
P2 P 0.96621 0.53194 0.24684 1.00000
P3 P 0.53194 0.24684 0.96621 1.00000
P4 P 0.45332 0.75853 0.03928 1.00000
P5 P 0.03928 0.45332 0.75853 1.00000
P6 P 0.75853 0.03928 0.45332 1.00000
O1 O 0.78249 0.84054 0.47417 1.00000
O2 O 0.47417 0.78249 0.84054 1.00000
O3 O 0.11082 0.88244 0.74089 1.00000
O4 O 0.84054 0.47417 0.78249 1.00000
O5 O 0.45917 0.81685 0.51285 1.00000
O6 O 0.19733 0.00234 0.37641 1.00000
O7 O 0.88244 0.74089 0.11082 1.00000
O8 O 0.81685 0.51285 0.45917 1.00000
O9 O 0.51285 0.45917 0.81685 1.00000
O10 O 0.62474 0.78586 0.01464 1.00000
O11 O 0.26261 0.90197 0.11528 1.00000
O12 O 0.01464 0.62474 0.78586 1.00000
O13 O 0.00234 0.37641 0.19733 1.00000
O14 O 0.74089 0.11082 0.88244 1.00000
O15 O 0.37641 0.19733 0.00234 1.00000
O16 O 0.48105 0.54362 0.18231 1.00000
O17 O 0.18231 0.48105 0.54362 1.00000
O18 O 0.11528 0.26261 0.90197 1.00000
O19 O 0.78586 0.01464 0.62474 1.00000
O20 O 0.54362 0.18231 0.48105 1.00000
O21 O 0.15666 0.52846 0.22274 1.00000
O22 O 0.90197 0.11528 0.26261 1.00000
O23 O 0.52846 0.22274 0.15666 1.00000
O24 O 0.22274 0.15666 0.52846 1.00000
