NaZnPH2O5
Alexandria ALEXAlex-ID: agm006338533 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E5_39_spg7
NaZnPO4 H2O
2024-05-09 19:20:04.021893
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006338533).
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 agm006338533
data_agm006338533
_cell_length_a 7.98480
_cell_length_b 4.82782
_cell_length_c 7.05549
_cell_angle_alpha 52.29278
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 215.17847
_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 0.52468 0.64414 0.00449 1.00000
Na2 Na 0.47532 0.64414 0.50449 1.00000
Zn1 Zn 0.03230 0.63439 0.47705 1.00000
Zn2 Zn 0.96770 0.63439 0.97705 1.00000
P1 P 0.22516 0.16371 0.98984 1.00000
P2 P 0.77484 0.16371 0.48984 1.00000
H1 H 0.77730 0.08095 0.17232 1.00000
H2 H 0.21551 0.24129 0.39344 1.00000
H3 H 0.22270 0.08095 0.67232 1.00000
H4 H 0.78449 0.24129 0.89344 1.00000
O1 O 0.40786 0.27950 0.92354 1.00000
O2 O 0.59214 0.27950 0.42354 1.00000
O3 O 0.19079 0.85776 0.97675 1.00000
O4 O 0.80921 0.85776 0.47675 1.00000
O5 O 0.76967 0.30097 0.00456 1.00000
O6 O 0.23033 0.30097 0.50456 1.00000
O7 O 0.18251 0.04878 0.24578 1.00000
O8 O 0.89771 0.47749 0.30859 1.00000
O9 O 0.81749 0.04878 0.74578 1.00000
O10 O 0.10229 0.47749 0.80859 1.00000
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