NaMn2P2(H2O5)2
Alexandria ALEXAlex-ID: agm007377480 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4E10_15_spg1
MnPH2O5 NaMnPO4 H2O
2024-05-09 20:36:20.038899
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007377480).
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 agm007377480
data_agm007377480
_cell_length_a 5.21620
_cell_length_b 5.45643
_cell_length_c 7.86770
_cell_angle_alpha 103.49361
_cell_angle_beta 103.54820
_cell_angle_gamma 99.37061
_cell_volume 206.01057
_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 0.08273 0.36220 0.90413 1.00000
Mn1 Mn 0.99529 0.49374 0.49361 1.00000
Mn2 Mn 0.51470 0.00579 0.00932 1.00000
P1 P 0.43165 0.57617 0.26556 1.00000
P2 P 0.56569 0.43927 0.73812 1.00000
H1 H 0.88262 0.94959 0.29770 1.00000
H2 H 0.07933 0.13954 0.22354 1.00000
H3 H 0.11816 0.00863 0.67555 1.00000
H4 H 0.91293 0.84939 0.76763 1.00000
O1 O 0.35817 0.72386 0.12380 1.00000
O2 O 0.28955 0.65003 0.41687 1.00000
O3 O 0.63230 0.29931 0.88605 1.00000
O4 O 0.72200 0.35164 0.59681 1.00000
O5 O 0.74805 0.65673 0.35152 1.00000
O6 O 0.33459 0.27961 0.16938 1.00000
O7 O 0.24964 0.34687 0.64941 1.00000
O8 O 0.65448 0.73661 0.81993 1.00000
O9 O 0.10202 0.88511 0.74866 1.00000
O10 O 0.90108 0.10843 0.25525 1.00000
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