ScMn(H3Pt)2
Alexandria ALEXAlex-ID: agm007693132 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
MnH2 ScPt3 Sc2MnH6 H2
2024-08-26 07:22:41.219145
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007693132).
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 agm007693132
data_agm007693132
_cell_length_a 4.96385
_cell_length_b 4.63834
_cell_length_c 4.78007
_cell_angle_alpha 110.23050
_cell_angle_beta 94.45741
_cell_angle_gamma 115.63891
_cell_volume 89.67394
_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
Sc1 Sc 0.74122 0.87399 0.21158 1.00000
Mn1 Mn 0.38016 0.06382 0.85956 1.00000
H1 H 0.16749 0.02197 0.51758 1.00000
H2 H 0.60784 0.37786 0.25523 1.00000
H3 H 0.69514 0.92559 0.72497 1.00000
H4 H 0.28668 0.83006 0.09069 1.00000
H5 H 0.07560 0.45878 0.31434 1.00000
H6 H 0.70548 0.44617 0.76340 1.00000
Pt1 Pt 0.38391 0.44479 0.50858 1.00000
Pt2 Pt 0.00938 0.38638 0.91925 1.00000
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