Lu5(PtSe)2
Alexandria ALEXAlex-ID: agm078475152 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_258_spg64
Lu5Pt3 Lu5Se6
2025-03-13 00:52:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078475152).
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 agm078475152
data_agm078475152
_cell_length_a 8.28528
_cell_length_b 8.28528
_cell_length_c 7.47972
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 126.52792
_cell_volume 412.59245
_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
Lu1 Lu 0.03227 0.28911 0.65599 1.00000
Lu2 Lu 0.96773 0.71089 0.34401 1.00000
Lu3 Lu 0.46773 0.21089 0.15599 1.00000
Lu4 Lu 0.53227 0.78911 0.84401 1.00000
Lu5 Lu 0.71089 0.96773 0.34401 1.00000
Lu6 Lu 0.28911 0.03227 0.65599 1.00000
Lu7 Lu 0.78911 0.53227 0.84401 1.00000
Lu8 Lu 0.21089 0.46773 0.15599 1.00000
Lu9 Lu 0.00000 0.00000 0.00000 1.00000
Lu10 Lu 0.50000 0.50000 0.50000 1.00000
Pt1 Pt 0.14028 0.14028 0.36117 1.00000
Pt2 Pt 0.85972 0.85972 0.63883 1.00000
Pt3 Pt 0.35972 0.35972 0.86117 1.00000
Pt4 Pt 0.64028 0.64028 0.13883 1.00000
Se1 Se 0.79277 0.20723 0.00000 1.00000
Se2 Se 0.20723 0.79277 0.00000 1.00000
Se3 Se 0.70723 0.29277 0.50000 1.00000
Se4 Se 0.29277 0.70723 0.50000 1.00000
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