Sn12HPt4
Alexandria ALEXAlex-ID: agm099622274 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_681_spg1
Sn4Pt SnH2 Sn2Pt
2025-04-16 07:41:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099622274).
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 agm099622274
data_agm099622274
_cell_length_a 4.28315
_cell_length_b 10.28605
_cell_length_c 9.46291
_cell_angle_alpha 87.78552
_cell_angle_beta 90.15332
_cell_angle_gamma 90.18616
_cell_volume 416.58934
_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
Sn1 Sn 0.15172 0.98499 0.65408 1.00000
Sn2 Sn 0.65172 0.01385 0.38735 1.00000
Sn3 Sn 0.14731 0.55426 0.92216 1.00000
Sn4 Sn 0.64685 0.67118 0.14278 1.00000
Sn5 Sn 0.64654 0.15759 0.08549 1.00000
Sn6 Sn 0.64151 0.28481 0.49189 1.00000
Sn7 Sn 0.64798 0.86905 0.88801 1.00000
Sn8 Sn 0.14670 0.70858 0.47331 1.00000
Sn9 Sn 0.12699 0.25920 0.75941 1.00000
Sn10 Sn 0.14386 0.46640 0.24974 1.00000
Sn11 Sn 0.64690 0.56398 0.68139 1.00000
Sn12 Sn 0.15067 0.88809 0.19576 1.00000
H1 H 0.66141 0.22323 0.69806 1.00000
Pt1 Pt 0.14841 0.03076 0.94764 1.00000
Pt2 Pt 0.64893 0.82469 0.60186 1.00000
Pt3 Pt 0.14620 0.30768 0.03504 1.00000
Pt4 Pt 0.14630 0.44165 0.53603 1.00000
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