Sm2H3Pt2
Alexandria ALEXAlex-ID: agm006302811 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_195_spg12
Sm3Pt5 SmH3 Sm15Pt32
2024-02-21 03:43:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006302811).
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
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# CIF generated by HEAS from Alexandria entry agm006302811
data_agm006302811
_cell_length_a 5.81497
_cell_length_b 5.81497
_cell_length_c 4.72609
_cell_angle_alpha 90.08449
_cell_angle_beta 90.08449
_cell_angle_gamma 40.63866
_cell_volume 104.08049
_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 0.73376 0.98647 0.74003 1.00000
Sm2 Sm 0.01353 0.26624 0.25997 1.00000
H1 H 0.56085 0.43915 0.00000 1.00000
H2 H 0.82013 0.80903 0.24816 1.00000
H3 H 0.19097 0.17987 0.75184 1.00000
Pt1 Pt 0.42627 0.74401 0.73578 1.00000
Pt2 Pt 0.25599 0.57373 0.26422 1.00000
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