Mn4PtI8
Alexandria ALEXAlex-ID: agm097379965 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1568_spg1
MnPt3 PtI2 MnI2
2025-06-16 20:57:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097379965).
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 agm097379965
data_agm097379965
_cell_length_a 4.27715
_cell_length_b 12.74479
_cell_length_c 12.21905
_cell_angle_alpha 57.87490
_cell_angle_beta 94.84096
_cell_angle_gamma 88.56268
_cell_volume 560.14643
_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
Mn1 Mn 0.17104 0.06236 0.97102 1.00000
Mn2 Mn 0.77349 0.45556 0.94902 1.00000
Mn3 Mn 0.99229 0.40544 0.36989 1.00000
Mn4 Mn 0.08995 0.03145 0.37716 1.00000
Pt1 Pt 0.63620 0.16439 0.83463 1.00000
I1 I 0.17412 0.93023 0.23895 1.00000
I2 I 0.46149 0.56062 0.28665 1.00000
I3 I 0.24866 0.60792 0.89929 1.00000
I4 I 0.09289 0.21768 0.60860 1.00000
I5 I 0.63538 0.95694 0.53931 1.00000
I6 I 0.92695 0.29018 0.21837 1.00000
I7 I 0.65137 0.39250 0.77475 1.00000
I8 I 0.64617 0.92473 0.93235 1.00000
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