LiBPt4
Alexandria ALEXAlex-ID: agm003750892 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1587_spg8
LiBPt3 Pt
2022-04-24 15:22:38.865562
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003750892).
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
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# CIF generated by HEAS from Alexandria entry agm003750892
data_agm003750892
_cell_length_a 3.96706
_cell_length_b 3.96724
_cell_length_c 5.58412
_cell_angle_alpha 79.62386
_cell_angle_beta 79.62345
_cell_angle_gamma 90.32364
_cell_volume 84.96752
_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
Li1 Li 0.52363 0.51963 0.00798 1.00000
B1 B 0.92122 0.91716 0.45002 1.00000
Pt1 Pt 0.46069 0.95589 0.27419 1.00000
Pt2 Pt 0.56516 0.07322 0.74118 1.00000
Pt3 Pt 0.07720 0.56119 0.74122 1.00000
Pt4 Pt 0.95990 0.45663 0.27424 1.00000
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