NdSn(H4Pt)2
Alexandria ALEXAlex-ID: agm007449626 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_38_spg12
NdH5Pt H2 SnPt
2024-02-11 10:24:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007449626).
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 agm007449626
data_agm007449626
_cell_length_a 5.04024
_cell_length_b 6.09205
_cell_length_c 5.56965
_cell_angle_alpha 88.19830
_cell_angle_beta 69.72531
_cell_angle_gamma 59.23990
_cell_volume 135.58006
_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 0.00000 0.50000 0.50000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
H1 H 0.55813 0.37269 0.62521 1.00000
H2 H 0.27965 0.43645 0.05331 1.00000
H3 H 0.44187 0.62731 0.37479 1.00000
H4 H 0.72035 0.56355 0.94669 1.00000
H5 H 0.22987 0.05398 0.43605 1.00000
H6 H 0.77013 0.94602 0.56395 1.00000
H7 H 0.81021 0.77186 0.22656 1.00000
H8 H 0.18979 0.22814 0.77344 1.00000
Pt1 Pt 0.47568 0.82729 0.17282 1.00000
Pt2 Pt 0.52432 0.17271 0.82718 1.00000
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