Na3CdP2HO8
Alexandria ALEXAlex-ID: agm006316675 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3E8_13_spg12
Na2PHO4 NaCdPO4
2024-04-07 09:52:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006316675).
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 agm006316675
data_agm006316675
_cell_length_a 5.37588
_cell_length_b 5.38995
_cell_length_c 7.03683
_cell_angle_alpha 90.68477
_cell_angle_beta 92.23398
_cell_angle_gamma 116.63740
_cell_volume 182.01853
_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 0.65534 0.28758 0.76981 1.00000
Na2 Na 0.34466 0.71242 0.23019 1.00000
Na3 Na 0.00000 0.00000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
P1 P 0.66073 0.36226 0.24901 1.00000
P2 P 0.33927 0.63774 0.75099 1.00000
H1 H 0.00000 0.50000 0.50000 1.00000
O1 O 0.76463 0.24484 0.08677 1.00000
O2 O 0.23537 0.75516 0.91323 1.00000
O3 O 0.77023 0.68194 0.23468 1.00000
O4 O 0.22977 0.31806 0.76532 1.00000
O5 O 0.77934 0.30934 0.44655 1.00000
O6 O 0.22066 0.69066 0.55345 1.00000
O7 O 0.66198 0.78523 0.74856 1.00000
O8 O 0.33802 0.21477 0.25144 1.00000
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