Nd(H2Pt)4
Alexandria ALEXAlex-ID: agm006570552 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_524_spg12
Nd(H3Pt)4 NdPt5 Nd(HPt)3
2024-02-29 19:21:02.528126
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006570552).
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 agm006570552
data_agm006570552
_cell_length_a 8.05628
_cell_length_b 8.05628
_cell_length_c 5.45414
_cell_angle_alpha 49.40943
_cell_angle_beta 49.40943
_cell_angle_gamma 38.76066
_cell_volume 160.47024
_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 0.50000 0.50000 0.50000 1.00000
H1 H 0.54686 0.05178 0.71699 1.00000
H2 H 0.05178 0.54686 0.71699 1.00000
H3 H 0.59901 0.59901 0.87828 1.00000
H4 H 0.09540 0.09540 0.91822 1.00000
H5 H 0.90460 0.90460 0.08178 1.00000
H6 H 0.40099 0.40099 0.12172 1.00000
H7 H 0.94822 0.45314 0.28301 1.00000
H8 H 0.45314 0.94822 0.28301 1.00000
Pt1 Pt 0.75296 0.24704 0.00000 1.00000
Pt2 Pt 0.24704 0.75296 0.00000 1.00000
Pt3 Pt 0.76328 0.76328 0.97659 1.00000
Pt4 Pt 0.23672 0.23672 0.02341 1.00000
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