Nb3P6PtO24
Alexandria ALEXAlex-ID: agm021011031 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D24_0_spg146
Nb5P7O30 P2PtO7 P2O5 Pt
2024-12-11 12:02:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021011031).
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 agm021011031
data_agm021011031
_cell_length_a 9.07806
_cell_length_b 9.07806
_cell_length_c 9.07806
_cell_angle_alpha 57.36073
_cell_angle_beta 57.36073
_cell_angle_gamma 57.36073
_cell_volume 496.87522
_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
Nb1 Nb 0.85712 0.85712 0.85712 1.00000
Nb2 Nb 0.64314 0.64314 0.64314 1.00000
Nb3 Nb 0.36040 0.36040 0.36040 1.00000
P1 P 0.25329 0.96749 0.52725 1.00000
P2 P 0.96749 0.52725 0.25329 1.00000
P3 P 0.52725 0.25329 0.96749 1.00000
P4 P 0.46437 0.75568 0.03385 1.00000
P5 P 0.03385 0.46437 0.75568 1.00000
P6 P 0.75568 0.03385 0.46437 1.00000
Pt1 Pt 0.14617 0.14617 0.14617 1.00000
O1 O 0.69696 0.87842 0.50982 1.00000
O2 O 0.50982 0.69696 0.87842 1.00000
O3 O 0.06292 0.95980 0.68979 1.00000
O4 O 0.87842 0.50982 0.69696 1.00000
O5 O 0.40498 0.78344 0.59674 1.00000
O6 O 0.27079 0.97042 0.34940 1.00000
O7 O 0.95980 0.68979 0.06292 1.00000
O8 O 0.78344 0.59674 0.40498 1.00000
O9 O 0.59674 0.40498 0.78344 1.00000
O10 O 0.64585 0.75877 0.00992 1.00000
O11 O 0.30474 0.94127 0.02188 1.00000
O12 O 0.00992 0.64585 0.75877 1.00000
O13 O 0.97042 0.34940 0.27079 1.00000
O14 O 0.68979 0.06292 0.95980 1.00000
O15 O 0.34940 0.27079 0.97042 1.00000
O16 O 0.41712 0.59258 0.22054 1.00000
O17 O 0.22054 0.41712 0.59258 1.00000
O18 O 0.02188 0.30474 0.94127 1.00000
O19 O 0.75877 0.00992 0.64585 1.00000
O20 O 0.59258 0.22054 0.41712 1.00000
O21 O 0.13330 0.50014 0.28490 1.00000
O22 O 0.94127 0.02188 0.30474 1.00000
O23 O 0.50014 0.28490 0.13330 1.00000
O24 O 0.28490 0.13330 0.50014 1.00000
