Bi8Pt8O27
Alexandria ALEXAlex-ID: agm008124103 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A8B8C27_2_spg160
Bi2Pt2O7 Bi2O3 Pt
2025-01-28 13:36:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008124103).
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 agm008124103
data_agm008124103
_cell_length_a 12.83067
_cell_length_b 12.83067
_cell_length_c 12.83067
_cell_angle_alpha 33.58012
_cell_angle_beta 33.58012
_cell_angle_gamma 33.58012
_cell_volume 575.59673
_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
Bi1 Bi 0.49627 0.49627 0.49627 1.00000
Bi2 Bi 0.25673 0.25673 0.73943 1.00000
Bi3 Bi 0.73943 0.25673 0.25673 1.00000
Bi4 Bi 0.00138 0.00138 0.00138 1.00000
Bi5 Bi 0.25673 0.73943 0.25673 1.00000
Bi6 Bi 0.25020 0.74898 0.74898 1.00000
Bi7 Bi 0.74898 0.74898 0.25020 1.00000
Bi8 Bi 0.74898 0.25020 0.74898 1.00000
Pt1 Pt 0.00015 0.49989 0.00015 1.00000
Pt2 Pt 0.00015 0.00015 0.49989 1.00000
Pt3 Pt 0.49989 0.00015 0.00015 1.00000
Pt4 Pt 0.75046 0.75046 0.75046 1.00000
Pt5 Pt 0.50057 0.00010 0.50057 1.00000
Pt6 Pt 0.50057 0.50057 0.00010 1.00000
Pt7 Pt 0.00010 0.50057 0.50057 1.00000
Pt8 Pt 0.25038 0.25038 0.25038 1.00000
O1 O 0.29251 0.87386 0.29251 1.00000
O2 O 0.91771 0.49772 0.91771 1.00000
O3 O 0.58350 0.58350 0.00119 1.00000
O4 O 0.29251 0.29251 0.87386 1.00000
O5 O 0.00119 0.58350 0.58350 1.00000
O6 O 0.87386 0.29251 0.29251 1.00000
O7 O 0.79282 0.37347 0.79282 1.00000
O8 O 0.91771 0.91771 0.49772 1.00000
O9 O 0.62627 0.20948 0.20948 1.00000
O10 O 0.20948 0.20948 0.62627 1.00000
O11 O 0.49772 0.91771 0.91771 1.00000
O12 O 0.06839 0.06839 0.06839 1.00000
O13 O 0.58350 0.00119 0.58350 1.00000
O14 O 0.41723 0.99939 0.41723 1.00000
O15 O 0.37347 0.79282 0.79282 1.00000
O16 O 0.93832 0.93832 0.93832 1.00000
O17 O 0.79282 0.79282 0.37347 1.00000
O18 O 0.50229 0.08283 0.08283 1.00000
O19 O 0.08283 0.08283 0.50229 1.00000
O20 O 0.20948 0.62627 0.20948 1.00000
O21 O 0.41723 0.41723 0.99939 1.00000
O22 O 0.70748 0.70748 0.12635 1.00000
O23 O 0.99939 0.41723 0.41723 1.00000
O24 O 0.12635 0.70748 0.70748 1.00000
O25 O 0.55638 0.55638 0.55638 1.00000
O26 O 0.08283 0.50229 0.08283 1.00000
O27 O 0.70748 0.12635 0.70748 1.00000
