K2AcP2O7
Alexandria ALEXAlex-ID: agm004589736 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_68_spg8
K4P2O7 K3P7 AcPO4 K3PO4
2022-06-26 02:57:34.985013
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004589736).
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 agm004589736
data_agm004589736
_cell_length_a 5.72820
_cell_length_b 5.72820
_cell_length_c 8.31896
_cell_angle_alpha 69.86180
_cell_angle_beta 69.86180
_cell_angle_gamma 60.00000
_cell_volume 216.91064
_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
K1 K 0.71436 0.71436 0.85691 1.00000
K2 K 0.28564 0.28564 0.14309 1.00000
Ac1 Ac 0.50000 0.50000 0.50000 1.00000
P1 P 0.92922 0.92922 0.21234 1.00000
P2 P 0.07078 0.07078 0.78766 1.00000
O1 O 0.21384 0.76382 0.26007 1.00000
O2 O 0.76227 0.21384 0.26007 1.00000
O3 O 0.76382 0.76227 0.26007 1.00000
O4 O 0.23773 0.23618 0.73993 1.00000
O5 O 0.78616 0.23773 0.73993 1.00000
O6 O 0.00000 0.00000 0.00000 1.00000
O7 O 0.23618 0.78616 0.73993 1.00000
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