Ba2DyAs3Pt7
Alexandria ALEXAlex-ID: agm020032697 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D7_19_spg119
BaDyAs2Pt5 BaAsPt BaPt5 Ba(As3Pt2)2
2024-09-25 13:48:32.798791
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020032697).
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 agm020032697
data_agm020032697
_cell_length_a 14.65193
_cell_length_b 14.65193
_cell_length_c 14.65193
_cell_angle_alpha 162.93512
_cell_angle_beta 162.93512
_cell_angle_gamma 24.22431
_cell_volume 270.80458
_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 0.58552 0.08552 0.50000 1.00000
Ba2 Ba 0.91448 0.41448 0.50000 1.00000
Dy1 Dy 0.75000 0.25000 0.50000 1.00000
As1 As 0.36598 0.86598 0.50000 1.00000
As2 As 0.13402 0.63402 0.50000 1.00000
As3 As 0.50000 0.50000 0.00000 1.00000
Pt1 Pt 0.31787 0.31787 0.00000 1.00000
Pt2 Pt 0.81892 0.81892 0.00000 1.00000
Pt3 Pt 0.18108 0.18108 0.00000 1.00000
Pt4 Pt 0.68213 0.68213 0.00000 1.00000
Pt5 Pt 0.45598 0.95598 0.50000 1.00000
Pt6 Pt 0.04402 0.54402 0.50000 1.00000
Pt7 Pt 0.25000 0.75000 0.50000 1.00000
Get direct link