Cs3(InPt)4
Alexandria ALEXAlex-ID: agm009933503 · Space group: I-43m (#217)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_2_spg217
InPt Cs
2024-03-06 07:01:44.546126
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009933503).
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 agm009933503
data_agm009933503
_cell_length_a 7.56097
_cell_length_b 7.56097
_cell_length_c 7.56097
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 332.74479
_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
Cs1 Cs 0.00000 0.50000 0.50000 1.00000
Cs2 Cs 0.50000 0.50000 0.00000 1.00000
Cs3 Cs 0.50000 0.00000 0.50000 1.00000
In1 In 0.00000 0.00000 0.28211 1.00000
In2 In 0.28211 0.00000 0.00000 1.00000
In3 In 0.00000 0.28211 0.00000 1.00000
In4 In 0.71789 0.71789 0.71789 1.00000
Pt1 Pt 0.00000 0.00000 0.65022 1.00000
Pt2 Pt 0.00000 0.65022 0.00000 1.00000
Pt3 Pt 0.65022 0.00000 0.00000 1.00000
Pt4 Pt 0.34978 0.34978 0.34978 1.00000
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