Na2P4PdO12
Alexandria ALEXAlex-ID: agm020097685 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D12_72_spg2
Na2P4PdO12
2025-01-26 21:30:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020097685).
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 agm020097685
data_agm020097685
_cell_length_a 5.72241
_cell_length_b 7.30451
_cell_length_c 7.57324
_cell_angle_alpha 109.39484
_cell_angle_beta 91.75078
_cell_angle_gamma 100.86243
_cell_volume 291.75743
_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 0.64329 0.72935 0.57331 1.00000
Na2 Na 0.35671 0.27065 0.42669 1.00000
P1 P 0.26618 0.75875 0.19577 1.00000
P2 P 0.88156 0.42405 0.21381 1.00000
P3 P 0.11844 0.57595 0.78619 1.00000
P4 P 0.73382 0.24125 0.80423 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
O1 O 0.48180 0.77225 0.31457 1.00000
O2 O 0.27877 0.62108 0.98147 1.00000
O3 O 0.78526 0.04233 0.80402 1.00000
O4 O 0.02508 0.64841 0.25691 1.00000
O5 O 0.93466 0.70923 0.82334 1.00000
O6 O 0.27815 0.57425 0.63524 1.00000
O7 O 0.72185 0.42575 0.36476 1.00000
O8 O 0.06534 0.29077 0.17666 1.00000
O9 O 0.97492 0.35159 0.74309 1.00000
O10 O 0.21474 0.95767 0.19598 1.00000
O11 O 0.72123 0.37892 0.01853 1.00000
O12 O 0.51820 0.22775 0.68543 1.00000
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