Zn3(PO6)2
Alexandria ALEXAlex-ID: agm005242578 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C12_81_spg2
Zn3(PO6)2
2022-12-12 12:30:24.507311
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005242578).
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 agm005242578
data_agm005242578
_cell_length_a 5.66962
_cell_length_b 5.99735
_cell_length_c 7.75804
_cell_angle_alpha 111.99937
_cell_angle_beta 105.85099
_cell_angle_gamma 90.33337
_cell_volume 233.55102
_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
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Zn2 Zn 0.14533 0.68519 0.36942 1.00000
Zn3 Zn 0.85467 0.31481 0.63058 1.00000
P1 P 0.74383 0.80698 0.61753 1.00000
P2 P 0.25617 0.19302 0.38247 1.00000
O1 O 0.86107 0.67731 0.76235 1.00000
O2 O 0.13893 0.32269 0.23765 1.00000
O3 O 0.46434 0.77990 0.56814 1.00000
O4 O 0.53566 0.22010 0.43186 1.00000
O5 O 0.85504 0.08057 0.76243 1.00000
O6 O 0.14496 0.91943 0.23757 1.00000
O7 O 0.83877 0.72374 0.44044 1.00000
O8 O 0.16123 0.27626 0.55956 1.00000
O9 O 0.60627 0.81028 0.06843 1.00000
O10 O 0.39373 0.18972 0.93157 1.00000
O11 O 0.41228 0.69622 0.94496 1.00000
O12 O 0.58772 0.30378 0.05504 1.00000
Get direct link