Ta3Zn(PO4)6
Alexandria ALEXAlex-ID: agm021007288 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D24_0_spg146
ZnP4O11 Zn(PO3)2 TaPO5 O2
2025-02-25 11:03:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021007288).
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 agm021007288
data_agm021007288
_cell_length_a 9.06654
_cell_length_b 9.06654
_cell_length_c 9.06654
_cell_angle_alpha 57.51431
_cell_angle_beta 57.51431
_cell_angle_gamma 57.51431
_cell_volume 496.87362
_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
Ta1 Ta 0.14299 0.14299 0.14299 1.00000
Ta2 Ta 0.35707 0.35707 0.35707 1.00000
Ta3 Ta 0.64162 0.64162 0.64162 1.00000
Zn1 Zn 0.85579 0.85579 0.85579 1.00000
P1 P 0.47256 0.03219 0.74932 1.00000
P2 P 0.74932 0.47256 0.03219 1.00000
P3 P 0.03219 0.74932 0.47256 1.00000
P4 P 0.96540 0.24766 0.53415 1.00000
P5 P 0.24766 0.53415 0.96540 1.00000
P6 P 0.53415 0.96540 0.24766 1.00000
O1 O 0.49034 0.12736 0.29774 1.00000
O2 O 0.12736 0.29774 0.49034 1.00000
O3 O 0.30361 0.04758 0.93463 1.00000
O4 O 0.29774 0.49034 0.12736 1.00000
O5 O 0.40892 0.21313 0.59054 1.00000
O6 O 0.64670 0.02275 0.74216 1.00000
O7 O 0.93463 0.30361 0.04758 1.00000
O8 O 0.59054 0.40892 0.21313 1.00000
O9 O 0.21313 0.59054 0.40892 1.00000
O10 O 0.99298 0.24030 0.35294 1.00000
O11 O 0.96115 0.06963 0.69767 1.00000
O12 O 0.24030 0.35294 0.99298 1.00000
O13 O 0.74216 0.64670 0.02275 1.00000
O14 O 0.04758 0.93463 0.30361 1.00000
O15 O 0.02275 0.74216 0.64670 1.00000
O16 O 0.78604 0.42010 0.56953 1.00000
O17 O 0.42010 0.56953 0.78604 1.00000
O18 O 0.06963 0.69767 0.96115 1.00000
O19 O 0.35294 0.99298 0.24030 1.00000
O20 O 0.56953 0.78604 0.42010 1.00000
O21 O 0.72147 0.49798 0.86394 1.00000
O22 O 0.69767 0.96115 0.06963 1.00000
O23 O 0.86394 0.72147 0.49798 1.00000
O24 O 0.49798 0.86394 0.72147 1.00000
