Cd(PO5)2
Alexandria ALEXAlex-ID: agm005273676 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C10_27_spg147
Cd(PO5)2
2023-03-30 00:30:04.493485
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005273676).
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 agm005273676
data_agm005273676
_cell_length_a 12.16355
_cell_length_b 12.16355
_cell_length_c 5.46038
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 699.64034
_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
Cd1 Cd 0.00000 0.50000 0.00000 1.00000
Cd2 Cd 0.50000 0.50000 0.00000 1.00000
Cd3 Cd 0.50000 0.00000 0.00000 1.00000
P1 P 0.81647 0.35920 0.49483 1.00000
P2 P 0.64080 0.45727 0.49483 1.00000
P3 P 0.54273 0.18353 0.49483 1.00000
P4 P 0.18353 0.64080 0.50517 1.00000
P5 P 0.35920 0.54273 0.50517 1.00000
P6 P 0.45727 0.81647 0.50517 1.00000
O1 O 0.68928 0.22649 0.56075 1.00000
O2 O 0.77351 0.46279 0.56075 1.00000
O3 O 0.53721 0.31072 0.56075 1.00000
O4 O 0.31072 0.77351 0.43925 1.00000
O5 O 0.22649 0.53721 0.43925 1.00000
O6 O 0.46279 0.68928 0.43925 1.00000
O7 O 0.51789 0.15834 0.22502 1.00000
O8 O 0.84166 0.35955 0.22502 1.00000
O9 O 0.64045 0.48211 0.22502 1.00000
O10 O 0.48211 0.84166 0.77498 1.00000
O11 O 0.15834 0.64045 0.77498 1.00000
O12 O 0.35955 0.51789 0.77498 1.00000
O13 O 0.37714 0.45960 0.32665 1.00000
O14 O 0.54040 0.91753 0.32665 1.00000
O15 O 0.08247 0.62286 0.32665 1.00000
O16 O 0.62286 0.54040 0.67335 1.00000
O17 O 0.45960 0.08247 0.67335 1.00000
O18 O 0.91753 0.37714 0.67335 1.00000
O19 O 0.27506 0.21416 0.89539 1.00000
O20 O 0.78584 0.06090 0.89539 1.00000
O21 O 0.93910 0.72494 0.89539 1.00000
O22 O 0.72494 0.78584 0.10461 1.00000
O23 O 0.21416 0.93910 0.10461 1.00000
O24 O 0.06090 0.27506 0.10461 1.00000
O25 O 0.82698 0.04484 0.70064 1.00000
O26 O 0.95516 0.78213 0.70064 1.00000
O27 O 0.21787 0.17302 0.70064 1.00000
O28 O 0.17302 0.95516 0.29936 1.00000
O29 O 0.04484 0.21787 0.29936 1.00000
O30 O 0.78213 0.82698 0.29936 1.00000
