NdSnH6Pt
Alexandria ALEXAlex-ID: agm006943364 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_88_spg174
Sn3Pt2 NdH3 NdH5Pt H2
2024-01-28 05:30:16.491450
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006943364).
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 agm006943364
data_agm006943364
_cell_length_a 4.72477
_cell_length_b 4.47099
_cell_length_c 5.82318
_cell_angle_alpha 112.07459
_cell_angle_beta 99.48062
_cell_angle_gamma 90.04256
_cell_volume 112.17259
_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
Nd1 Nd 0.29637 0.04211 0.09087 1.00000
Sn1 Sn 0.80539 0.59703 0.20239 1.00000
H1 H 0.63858 0.24286 0.47285 1.00000
H2 H 0.21579 0.99482 0.50459 1.00000
H3 H 0.17742 0.44301 0.88733 1.00000
H4 H 0.20523 0.49902 0.49768 1.00000
H5 H 0.62126 0.68837 0.83075 1.00000
H6 H 0.63005 0.15330 0.83649 1.00000
Pt1 Pt 0.41001 0.33954 0.67686 1.00000
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