BaZnInPt2
Alexandria ALEXAlex-ID: agm005018038 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1563_spg119
BaIn2Pt BaZn2Pt3
2022-07-05 06:45:14.046755
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005018038).
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 agm005018038
data_agm005018038
_cell_length_a 4.45873
_cell_length_b 4.45873
_cell_length_c 6.64812
_cell_angle_alpha 109.59304
_cell_angle_beta 109.59304
_cell_angle_gamma 90.00000
_cell_volume 116.35871
_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 0.00000 1.00000
Zn1 Zn 0.25000 0.75000 0.50000 1.00000
In1 In 0.75000 0.25000 0.50000 1.00000
Pt1 Pt 0.61668 0.61668 0.23336 1.00000
Pt2 Pt 0.38332 0.38332 0.76664 1.00000
