In2Pb2S5
Alexandria ALEXAlex-ID: agm003314072 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_286_spg12
In2S3 PbS
2022-01-22 03:15:26.399249
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003314072).
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 agm003314072
data_agm003314072
_cell_length_a 4.13391
_cell_length_b 9.51290
_cell_length_c 6.73571
_cell_angle_alpha 95.41175
_cell_angle_beta 90.00000
_cell_angle_gamma 102.54927
_cell_volume 257.34667
_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
In1 In 0.13073 0.26145 0.89097 1.00000
In2 In 0.86927 0.73855 0.10903 1.00000
Pb1 Pb 0.43450 0.86900 0.66867 1.00000
Pb2 Pb 0.56550 0.13100 0.33133 1.00000
S1 S 0.32494 0.64989 0.91787 1.00000
S2 S 0.67506 0.35011 0.08213 1.00000
S3 S 0.14309 0.28618 0.53629 1.00000
S4 S 0.85691 0.71382 0.46371 1.00000
S5 S 0.00000 0.00000 0.00000 1.00000
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