NdZn(H4Pt)2
Alexandria ALEXAlex-ID: agm007170956 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2106_spg1
NdH5Pt H2 ZnPt
2025-05-28 06:09:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007170956).
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 agm007170956
data_agm007170956
_cell_length_a 4.92235
_cell_length_b 5.95260
_cell_length_c 4.74676
_cell_angle_alpha 80.56850
_cell_angle_beta 79.67539
_cell_angle_gamma 98.71276
_cell_volume 132.61789
_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 0.70005 0.24903 0.58469 1.00000
Zn1 Zn 0.02131 0.96805 0.02703 1.00000
H1 H 0.77490 0.85832 0.46664 1.00000
H2 H 0.37388 0.47742 0.80568 1.00000
H3 H 0.19700 0.18667 0.51355 1.00000
H4 H 0.40387 0.88486 0.86072 1.00000
H5 H 0.54834 0.16444 0.12931 1.00000
H6 H 0.92496 0.59026 0.75886 1.00000
H7 H 0.04839 0.48054 0.19211 1.00000
H8 H 0.54964 0.58731 0.18327 1.00000
Pt1 Pt 0.66362 0.72998 0.81245 1.00000
Pt2 Pt 0.29404 0.32310 0.16568 1.00000
Get direct link