SmH4Pt
Alexandria ALEXAlex-ID: agm002340468 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_9_spg63
SmH4Pt
2019-02-26 22:48:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002340468).
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 agm002340468
data_agm002340468
_cell_length_a 3.76395
_cell_length_b 5.19391
_cell_length_c 6.37758
_cell_angle_alpha 90.00013
_cell_angle_beta 107.46646
_cell_angle_gamma 89.99999
_cell_volume 118.93079
_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
H1 H 0.30396 0.03079 0.60775 1.00000
H2 H 0.69604 0.53079 0.39225 1.00000
H3 H 0.30396 0.55221 0.60774 1.00000
H4 H 0.69604 0.05221 0.39226 1.00000
H5 H 0.09057 0.79149 0.18684 1.00000
H6 H 0.90943 0.29149 0.81316 1.00000
H7 H 0.50000 0.04150 0.00000 1.00000
H8 H 0.50000 0.54150 1.00000 1.00000
Sm1 Sm 0.13306 0.29150 0.27067 1.00000
Sm2 Sm 0.86694 0.79150 0.72933 1.00000
Pt1 Pt 0.40803 0.29151 0.80265 1.00000
Pt2 Pt 0.59197 0.79150 0.19735 1.00000
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