BaPPt
Alexandria ALEXAlex-ID: agm002305259 · Space group: I4_1md (#109)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_13_spg8
BaPPt
2018-09-13 02:34:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002305259).
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 agm002305259
data_agm002305259
_cell_length_a 4.44866
_cell_length_b 4.44867
_cell_length_c 7.97559
_cell_angle_alpha 106.17146
_cell_angle_beta 106.17140
_cell_angle_gamma 90.00661
_cell_volume 145.08110
_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
P1 P 0.33060 0.83007 0.66034 1.00000
P2 P 0.58007 0.58060 0.16034 1.00000
Ba1 Ba 0.74845 0.24840 0.49692 1.00000
Ba2 Ba 0.99840 0.99845 0.99692 1.00000
Pt1 Pt 0.41383 0.41382 0.82790 1.00000
Pt2 Pt 0.16382 0.66383 0.32790 1.00000
Get direct link