Na3(PAu)4
Alexandria ALEXAlex-ID: agm009710962 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_575_spg2
Na2PAu PAu
2024-03-07 05:07:32.766985
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009710962).
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 agm009710962
data_agm009710962
_cell_length_a 6.28056
_cell_length_b 5.55896
_cell_length_c 8.75956
_cell_angle_alpha 100.96157
_cell_angle_beta 115.27972
_cell_angle_gamma 84.02941
_cell_volume 271.40261
_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 0.99465 0.50269 0.27735 1.00000
Na2 Na 0.00535 0.49731 0.72265 1.00000
Na3 Na 0.50000 0.00000 0.50000 1.00000
P1 P 0.60612 0.40662 0.93189 1.00000
P2 P 0.39388 0.59338 0.06811 1.00000
P3 P 0.54529 0.01388 0.89473 1.00000
P4 P 0.45471 0.98612 0.10527 1.00000
Au1 Au 0.82284 0.03456 0.35394 1.00000
Au2 Au 0.51026 0.49147 0.34848 1.00000
Au3 Au 0.17716 0.96544 0.64606 1.00000
Au4 Au 0.48974 0.50853 0.65152 1.00000
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