In(Bi3Pt)4
Alexandria ALEXAlex-ID: agm006010129 · Space group: Im-3 (#204)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_14_spg204
Bi2Pt In2Pt Bi
2023-08-07 16:21:46.230810
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010129).
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 agm006010129
data_agm006010129
_cell_length_a 8.66646
_cell_length_b 8.66645
_cell_length_c 8.66644
_cell_angle_alpha 109.47120
_cell_angle_beta 109.47133
_cell_angle_gamma 109.47135
_cell_volume 501.07219
_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
In1 In 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.84266 0.33694 0.17959 1.00000
Bi2 Bi 0.33694 0.49428 0.15734 1.00000
Bi3 Bi 0.82041 0.15734 0.66306 1.00000
Bi4 Bi 0.33694 0.17959 0.84266 1.00000
Bi5 Bi 0.17959 0.84266 0.33694 1.00000
Bi6 Bi 0.66306 0.50572 0.84266 1.00000
Bi7 Bi 0.49428 0.15734 0.33694 1.00000
Bi8 Bi 0.50572 0.84266 0.66306 1.00000
Bi9 Bi 0.66306 0.82041 0.15734 1.00000
Bi10 Bi 0.84266 0.66306 0.50572 1.00000
Bi11 Bi 0.15734 0.33694 0.49428 1.00000
Bi12 Bi 0.15734 0.66306 0.82041 1.00000
Pt1 Pt 0.00000 0.50000 0.00000 1.00000
Pt2 Pt 0.50000 0.00000 0.00000 1.00000
Pt3 Pt 0.50000 0.50000 0.50000 1.00000
Pt4 Pt 0.00000 0.00000 0.50000 1.00000
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