Na2P4Pb3O14
Alexandria ALEXAlex-ID: agm009403658 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D14_1_spg2
Na2P2PbO7 P2Pb2O7
2024-12-31 17:43:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009403658).
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 agm009403658
data_agm009403658
_cell_length_a 6.20293
_cell_length_b 7.46812
_cell_length_c 8.41371
_cell_angle_alpha 75.08653
_cell_angle_beta 83.16060
_cell_angle_gamma 67.23246
_cell_volume 347.20056
_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 0.61492 0.01449 0.68907 1.00000
Na2 Na 0.38508 0.98551 0.31093 1.00000
P1 P 0.18781 0.73447 0.67004 1.00000
P2 P 0.34211 0.32710 0.91961 1.00000
P3 P 0.65789 0.67290 0.08039 1.00000
P4 P 0.81219 0.26553 0.32996 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.20947 0.51634 0.30624 1.00000
Pb3 Pb 0.79053 0.48366 0.69376 1.00000
O1 O 0.18072 0.25851 0.84394 1.00000
O2 O 0.06140 0.65313 0.57520 1.00000
O3 O 0.31372 0.29922 0.10566 1.00000
O4 O 0.02459 0.92259 0.72344 1.00000
O5 O 0.27338 0.56671 0.84514 1.00000
O6 O 0.58998 0.24460 0.42228 1.00000
O7 O 0.59811 0.22622 0.86253 1.00000
O8 O 0.40189 0.77378 0.13747 1.00000
O9 O 0.41002 0.75540 0.57772 1.00000
O10 O 0.72662 0.43329 0.15486 1.00000
O11 O 0.97541 0.07741 0.27656 1.00000
O12 O 0.68628 0.70078 0.89434 1.00000
O13 O 0.93860 0.34687 0.42480 1.00000
O14 O 0.81928 0.74149 0.15606 1.00000
