LaInPt
Alexandria ALEXAlex-ID: agm014128283 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_268_spg11
LaInPt
2025-03-29 07:45:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014128283).
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 agm014128283
data_agm014128283
_cell_length_a 7.62298
_cell_length_b 4.42338
_cell_length_c 12.94349
_cell_angle_alpha 90.00000
_cell_angle_beta 89.00365
_cell_angle_gamma 90.00000
_cell_volume 436.38016
_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
La1 La 0.54367 0.75000 0.62225 1.00000
La2 La 0.94814 0.25000 0.28687 1.00000
La3 La 0.05186 0.75000 0.71313 1.00000
La4 La 0.65670 0.75000 0.91876 1.00000
La5 La 0.45633 0.25000 0.37775 1.00000
La6 La 0.34330 0.25000 0.08124 1.00000
In1 In 0.99715 0.25000 0.91478 1.00000
In2 In 0.86316 0.25000 0.54271 1.00000
In3 In 0.62191 0.75000 0.20389 1.00000
In4 In 0.13684 0.75000 0.45729 1.00000
In5 In 0.37809 0.25000 0.79611 1.00000
In6 In 0.00285 0.75000 0.08522 1.00000
Pt1 Pt 0.75486 0.25000 0.08790 1.00000
Pt2 Pt 0.25052 0.75000 0.24580 1.00000
Pt3 Pt 0.75189 0.75000 0.41622 1.00000
Pt4 Pt 0.24514 0.75000 0.91210 1.00000
Pt5 Pt 0.24811 0.25000 0.58378 1.00000
Pt6 Pt 0.74948 0.25000 0.75420 1.00000
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