PmSc(H4Pt)2
Alexandria ALEXAlex-ID: agm007409183 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_757_spg148
ScH3Pt PmH5Pt
2025-05-28 05:46:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007409183).
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 agm007409183
data_agm007409183
_cell_length_a 4.39776
_cell_length_b 5.01676
_cell_length_c 6.40538
_cell_angle_alpha 63.64284
_cell_angle_beta 69.84847
_cell_angle_gamma 64.01918
_cell_volume 111.83933
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.50000 0.50000 0.50000 1.00000
H1 H 0.93500 0.71532 0.41448 1.00000
H2 H 0.08261 0.56436 0.80378 1.00000
H3 H 0.06500 0.28468 0.58552 1.00000
H4 H 0.54737 0.56576 0.80315 1.00000
H5 H 0.45263 0.43424 0.19685 1.00000
H6 H 0.55495 0.07300 0.81706 1.00000
H7 H 0.44505 0.92700 0.18294 1.00000
H8 H 0.91739 0.43564 0.19622 1.00000
Pt1 Pt 0.76183 0.83466 0.64205 1.00000
Pt2 Pt 0.23817 0.16534 0.35795 1.00000
Get direct link