SmCu3(H4Pt)2
Alexandria ALEXAlex-ID: agm006701802 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_463_spg1
CuH4 SmH5Pt Sm(H3Pt)4 Cu
2024-02-25 00:02:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006701802).
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 agm006701802
data_agm006701802
_cell_length_a 5.34087
_cell_length_b 5.51231
_cell_length_c 6.09440
_cell_angle_alpha 69.67975
_cell_angle_beta 77.01862
_cell_angle_gamma 58.76371
_cell_volume 143.64283
_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 0.02749 0.81067 0.33404 1.00000
Cu1 Cu 0.49411 0.17424 0.70318 1.00000
Cu2 Cu 0.98826 0.58263 0.87560 1.00000
Cu3 Cu 0.52166 0.62251 0.75669 1.00000
H1 H 0.01706 0.16129 0.47604 1.00000
H2 H 0.71060 0.81191 0.68218 1.00000
H3 H 0.21583 0.18876 0.91661 1.00000
H4 H 0.64172 0.22371 0.91367 1.00000
H5 H 0.19926 0.71921 0.92899 1.00000
H6 H 0.00679 0.49211 0.18098 1.00000
H7 H 0.46502 0.33367 0.40287 1.00000
H8 H 0.47881 0.80707 0.20750 1.00000
Pt1 Pt 0.00592 0.10162 0.81120 1.00000
Pt2 Pt 0.72015 0.46329 0.33243 1.00000
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