NaZn2As2(H2O5)2
Alexandria ALEXAlex-ID: agm007377500 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4E10_41_spg1
Zn2As2O7 NaO8 NaZn2As2HO8 H2O
2024-04-07 06:30:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007377500).
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
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# CIF generated by HEAS from Alexandria entry agm007377500
data_agm007377500
_cell_length_a 5.42137
_cell_length_b 5.56865
_cell_length_c 7.78938
_cell_angle_alpha 102.78304
_cell_angle_beta 104.01644
_cell_angle_gamma 99.72440
_cell_volume 216.26297
_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 0.64469 0.94332 0.09687 1.00000
Zn1 Zn 0.50656 0.00033 0.50654 1.00000
Zn2 Zn 0.98544 0.47756 0.98260 1.00000
As1 As 0.41822 0.54639 0.73404 1.00000
As2 As 0.56213 0.45024 0.25925 1.00000
H1 H 0.04248 0.12466 0.70503 1.00000
H2 H 0.86701 0.94524 0.78924 1.00000
H3 H 0.99930 0.87726 0.32528 1.00000
H4 H 0.14850 0.07475 0.23549 1.00000
O1 O 0.26985 0.65052 0.90012 1.00000
O2 O 0.33424 0.68224 0.55772 1.00000
O3 O 0.69035 0.35121 0.07893 1.00000
O4 O 0.66752 0.27865 0.40834 1.00000
O5 O 0.32680 0.22080 0.65769 1.00000
O6 O 0.75034 0.67318 0.84569 1.00000
O7 O 0.67927 0.77313 0.34537 1.00000
O8 O 0.22581 0.34399 0.16690 1.00000
O9 O 0.13648 0.90536 0.26206 1.00000
O10 O 0.88250 0.10617 0.74997 1.00000
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