CdSn(H4Pt)2
Alexandria ALEXAlex-ID: agm007477777 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_303_spg148
CdH6Pt H2 SnPt
2024-02-07 15:58:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007477777).
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 agm007477777
data_agm007477777
_cell_length_a 4.95885
_cell_length_b 4.65418
_cell_length_c 6.39994
_cell_angle_alpha 69.56359
_cell_angle_beta 69.63626
_cell_angle_gamma 74.95346
_cell_volume 128.14631
_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
Cd1 Cd 0.50000 0.50000 0.50000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
H1 H 0.30429 0.10485 0.54479 1.00000
H2 H 0.87709 0.41785 0.19834 1.00000
H3 H 0.69571 0.89515 0.45521 1.00000
H4 H 0.12291 0.58215 0.80166 1.00000
H5 H 0.65469 0.92999 0.80498 1.00000
H6 H 0.34531 0.07001 0.19502 1.00000
H7 H 0.69372 0.44841 0.82550 1.00000
H8 H 0.30628 0.55159 0.17450 1.00000
Pt1 Pt 0.88436 0.71984 0.64113 1.00000
Pt2 Pt 0.11564 0.28016 0.35887 1.00000
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