MgSb(H4Pt)2
Alexandria ALEXAlex-ID: agm007611252 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1168_spg12
MgH6Pt H10Pt Sb2Pt H3Pt
2024-02-07 23:20:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007611252).
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 agm007611252
data_agm007611252
_cell_length_a 7.03203
_cell_length_b 4.27911
_cell_length_c 4.44927
_cell_angle_alpha 79.93598
_cell_angle_beta 81.68517
_cell_angle_gamma 67.37214
_cell_volume 121.23295
_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
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
H1 H 0.70708 0.01217 0.54453 1.00000
H2 H 0.85255 0.47471 0.67675 1.00000
H3 H 0.29292 0.98783 0.45547 1.00000
H4 H 0.43416 0.85481 0.90537 1.00000
H5 H 0.56584 0.14519 0.09463 1.00000
H6 H 0.25037 0.51324 0.80420 1.00000
H7 H 0.74963 0.48676 0.19580 1.00000
H8 H 0.14745 0.52529 0.32325 1.00000
Pt1 Pt 0.70084 0.78278 0.87853 1.00000
Pt2 Pt 0.29916 0.21722 0.12147 1.00000
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