Zn(PO3)2
Alexandria ALEXAlex-ID: agm020993419 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_163_spg15
Zn(PO3)2
2025-01-19 00:55:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020993419).
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 agm020993419
data_agm020993419
_cell_length_a 7.32846
_cell_length_b 7.32846
_cell_length_c 10.08612
_cell_angle_alpha 66.77634
_cell_angle_beta 113.22366
_cell_angle_gamma 110.14196
_cell_volume 445.87617
_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 0.45281 0.45281 0.25000 1.00000
Zn2 Zn 0.50000 0.00000 0.50000 1.00000
Zn3 Zn 0.00000 0.50000 0.00000 1.00000
Zn4 Zn 0.54719 0.54719 0.75000 1.00000
P1 P 0.20354 0.81289 0.19456 1.00000
P2 P 0.81289 0.20354 0.30544 1.00000
P3 P 0.79646 0.18711 0.80544 1.00000
P4 P 0.18711 0.79646 0.69456 1.00000
P5 P 0.75434 0.76956 0.02286 1.00000
P6 P 0.76956 0.75434 0.47714 1.00000
P7 P 0.24566 0.23044 0.97714 1.00000
P8 P 0.23044 0.24566 0.52286 1.00000
O1 O 0.58857 0.65390 0.09271 1.00000
O2 O 0.65390 0.58857 0.40729 1.00000
O3 O 0.41143 0.34610 0.90729 1.00000
O4 O 0.34610 0.41143 0.59271 1.00000
O5 O 0.21817 0.62492 0.17286 1.00000
O6 O 0.62492 0.21817 0.32714 1.00000
O7 O 0.78183 0.37508 0.82714 1.00000
O8 O 0.37508 0.78183 0.67286 1.00000
O9 O 0.72007 0.99779 0.93705 1.00000
O10 O 0.99779 0.72007 0.56295 1.00000
O11 O 0.27993 0.00221 0.06295 1.00000
O12 O 0.00221 0.27993 0.43705 1.00000
O13 O 0.96642 0.80745 0.15385 1.00000
O14 O 0.80745 0.96642 0.34615 1.00000
O15 O 0.03358 0.19255 0.84615 1.00000
O16 O 0.19255 0.03358 0.65385 1.00000
O17 O 0.78823 0.69141 0.91675 1.00000
O18 O 0.69141 0.78823 0.58325 1.00000
O19 O 0.21177 0.30859 0.08325 1.00000
O20 O 0.30859 0.21177 0.41675 1.00000
O21 O 0.30941 0.84499 0.34521 1.00000
O22 O 0.84499 0.30941 0.15479 1.00000
O23 O 0.69059 0.15501 0.65479 1.00000
O24 O 0.15501 0.69059 0.84521 1.00000
