Sm2H2Pt5
Alexandria ALEXAlex-ID: agm006997498 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_744_spg2
Sm3H2Pt9 Sm15Pt32 Sm(HPt)3
2024-03-05 09:28:28.799386
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006997498).
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 agm006997498
data_agm006997498
_cell_length_a 5.14521
_cell_length_b 5.13186
_cell_length_c 6.90460
_cell_angle_alpha 104.35178
_cell_angle_beta 83.54647
_cell_angle_gamma 118.15421
_cell_volume 155.72274
_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
Sm1 Sm 0.49757 0.88742 0.72821 1.00000
Sm2 Sm 0.50243 0.11258 0.27179 1.00000
H1 H 0.50085 0.58182 0.19936 1.00000
H2 H 0.49915 0.41818 0.80064 1.00000
Pt1 Pt 0.16665 0.46933 0.33942 1.00000
Pt2 Pt 0.83335 0.53067 0.66058 1.00000
Pt3 Pt 0.16483 0.21185 0.65992 1.00000
Pt4 Pt 0.83517 0.78815 0.34008 1.00000
Pt5 Pt 0.00000 0.00000 0.00000 1.00000
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