BaTi2PtO8
Alexandria ALEXAlex-ID: agm004898685 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_936_spg2
Ba2Pt7O18 Ba4Ti13O30 BaTi2O5 PtO4
2023-01-06 22:32:37.993399
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004898685).
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 agm004898685
data_agm004898685
_cell_length_a 4.81777
_cell_length_b 5.15251
_cell_length_c 7.07654
_cell_angle_alpha 76.16695
_cell_angle_beta 79.25008
_cell_angle_gamma 74.91244
_cell_volume 163.23710
_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
Ba1 Ba 0.00000 0.00000 0.50000 1.00000
Ti1 Ti 0.48023 0.46382 0.71697 1.00000
Ti2 Ti 0.51977 0.53618 0.28303 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
O1 O 0.15518 0.69865 0.22069 1.00000
O2 O 0.62250 0.87599 0.01957 1.00000
O3 O 0.79518 0.28026 0.17030 1.00000
O4 O 0.84482 0.30135 0.77931 1.00000
O5 O 0.37750 0.12401 0.98043 1.00000
O6 O 0.20482 0.71974 0.82970 1.00000
O7 O 0.59378 0.70622 0.47389 1.00000
O8 O 0.40622 0.29378 0.52611 1.00000
Get direct link