Na2Ni(PO3)4
Alexandria ALEXAlex-ID: agm011654591 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D12_111_spg2
NaNi(PO3)3 NaPO3
2024-04-08 11:07:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011654591).
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 agm011654591
data_agm011654591
_cell_length_a 5.32282
_cell_length_b 7.02714
_cell_length_c 8.95753
_cell_angle_alpha 107.93627
_cell_angle_beta 101.78687
_cell_angle_gamma 105.87831
_cell_volume 290.96383
_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
Na1 Na 0.00897 0.27976 0.36686 1.00000
Na2 Na 0.99103 0.72024 0.63314 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
P1 P 0.54198 0.19444 0.88904 1.00000
P2 P 0.47465 0.54503 0.77941 1.00000
P3 P 0.45802 0.80556 0.11096 1.00000
P4 P 0.52535 0.45497 0.22059 1.00000
O1 O 0.76616 0.69393 0.82311 1.00000
O2 O 0.77726 0.12625 0.86261 1.00000
O3 O 0.64442 0.38707 0.06805 1.00000
O4 O 0.35558 0.61293 0.93195 1.00000
O5 O 0.72609 0.97560 0.13644 1.00000
O6 O 0.22274 0.87375 0.13739 1.00000
O7 O 0.26591 0.51366 0.62574 1.00000
O8 O 0.23384 0.30607 0.17689 1.00000
O9 O 0.47437 0.30987 0.76323 1.00000
O10 O 0.52563 0.69013 0.23677 1.00000
O11 O 0.73409 0.48634 0.37426 1.00000
O12 O 0.27391 0.02440 0.86356 1.00000
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