Pt2Cl
Alexandria ALEXAlex-ID: agm005483427 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_200_spg12
PtCl2 Pt
2023-03-20 13:53:22.593143
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005483427).
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 agm005483427
data_agm005483427
_cell_length_a 6.31079
_cell_length_b 6.31079
_cell_length_c 7.21009
_cell_angle_alpha 57.88706
_cell_angle_beta 57.88706
_cell_angle_gamma 26.34919
_cell_volume 106.77791
_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
Pt1 Pt 0.81566 0.81566 0.56961 1.00000
Pt2 Pt 0.54408 0.54408 0.28772 1.00000
Pt3 Pt 0.45592 0.45592 0.71228 1.00000
Pt4 Pt 0.18434 0.18434 0.43039 1.00000
Cl1 Cl 0.14336 0.14336 0.94765 1.00000
Cl2 Cl 0.85664 0.85664 0.05235 1.00000
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