Cd2P4PdO8
Alexandria ALEXAlex-ID: agm005274657 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D8_159_spg70
Cd2P2O7 P2Pd Cd3(P3Pd10)2 Cd(PO3)2
2023-05-15 10:11:34.439597
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005274657).
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 agm005274657
data_agm005274657
_cell_length_a 12.44069
_cell_length_b 12.45327
_cell_length_c 8.67197
_cell_angle_alpha 69.53529
_cell_angle_beta 69.69111
_cell_angle_gamma 40.77361
_cell_volume 814.57041
_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 0.12500 0.12500 0.12500 1.00000
Cd2 Cd 0.62500 0.12500 0.12500 1.00000
Cd3 Cd 0.12500 0.62500 0.12500 1.00000
Cd4 Cd 0.12500 0.12500 0.62500 1.00000
P1 P 0.78276 0.32295 0.45095 1.00000
P2 P 0.44334 0.45095 0.32295 1.00000
P3 P 0.45095 0.44334 0.78276 1.00000
P4 P 0.46724 0.92705 0.79905 1.00000
P5 P 0.32295 0.78276 0.44334 1.00000
P6 P 0.80666 0.79905 0.92705 1.00000
P7 P 0.79905 0.80666 0.46724 1.00000
P8 P 0.92705 0.46724 0.80666 1.00000
Pd1 Pd 0.75000 0.75000 0.75000 1.00000
Pd2 Pd 0.50000 0.50000 0.50000 1.00000
O1 O 0.24021 0.89077 0.57373 1.00000
O2 O 0.29528 0.57373 0.89077 1.00000
O3 O 0.57373 0.29528 0.24021 1.00000
O4 O 0.00979 0.35923 0.67627 1.00000
O5 O 0.89077 0.24021 0.29528 1.00000
O6 O 0.95472 0.67627 0.35923 1.00000
O7 O 0.67627 0.95472 0.00979 1.00000
O8 O 0.35923 0.00979 0.95472 1.00000
O9 O 0.87554 0.27489 0.57976 1.00000
O10 O 0.26981 0.57976 0.27489 1.00000
O11 O 0.57976 0.26981 0.87554 1.00000
O12 O 0.37446 0.97511 0.67024 1.00000
O13 O 0.27489 0.87554 0.26981 1.00000
O14 O 0.98019 0.67024 0.97511 1.00000
O15 O 0.67024 0.98019 0.37446 1.00000
O16 O 0.97511 0.37446 0.98019 1.00000
