ZnSn(H4Pt)2
Alexandria ALEXAlex-ID: agm007477090 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1920_spg1
ZnPt H2 SnPt
2024-02-08 00:06:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007477090).
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 agm007477090
data_agm007477090
_cell_length_a 4.63862
_cell_length_b 4.63677
_cell_length_c 7.07178
_cell_angle_alpha 94.24423
_cell_angle_beta 103.64703
_cell_angle_gamma 114.34334
_cell_volume 132.12236
_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
Zn1 Zn 0.62003 0.28894 0.58548 1.00000
Sn1 Sn 0.61732 0.81240 0.11928 1.00000
H1 H 0.97456 0.67142 0.70813 1.00000
H2 H 0.96240 0.11111 0.62813 1.00000
H3 H 0.13176 0.38391 0.26394 1.00000
H4 H 0.24330 0.98929 0.40470 1.00000
H5 H 0.17228 0.16042 0.95834 1.00000
H6 H 0.46515 0.54562 0.80533 1.00000
H7 H 0.68960 0.43447 0.25583 1.00000
H8 H 0.57080 0.08285 0.80700 1.00000
Pt1 Pt 0.29291 0.15495 0.20515 1.00000
Pt2 Pt 0.75989 0.86463 0.75869 1.00000
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