SrNd(H4Pt)2
Alexandria ALEXAlex-ID: agm007387738 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1390_spg5
NdH3Pt Nd15Pt32 NdH3 SrH6Pt
2024-12-03 07:20:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007387738).
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 agm007387738
data_agm007387738
_cell_length_a 4.64676
_cell_length_b 4.20420
_cell_length_c 8.22484
_cell_angle_alpha 75.21622
_cell_angle_beta 75.46579
_cell_angle_gamma 63.28248
_cell_volume 137.03599
_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
Sr1 Sr 0.49999 0.50025 0.50000 1.00000
Nd1 Nd 0.00001 0.99983 1.00000 1.00000
H1 H 0.86782 0.78931 0.55608 1.00000
H2 H 0.36548 0.95918 0.71797 1.00000
H3 H 0.13214 0.21213 0.44394 1.00000
H4 H 0.12486 0.53577 0.80218 1.00000
H5 H 0.87522 0.46405 0.19781 1.00000
H6 H 0.62115 0.70124 0.97469 1.00000
H7 H 0.37889 0.29724 0.02530 1.00000
H8 H 0.63443 0.04100 0.28203 1.00000
Pt1 Pt 0.74276 0.74632 0.76517 1.00000
Pt2 Pt 0.25724 0.25368 0.23483 1.00000
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