MgZnH6Pt
Alexandria ALEXAlex-ID: agm007663294 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_233_spg5
MgH6 MgH6Pt Zn3Pt
2025-05-27 03:32:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007663294).
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 agm007663294
data_agm007663294
_cell_length_a 4.58075
_cell_length_b 4.92821
_cell_length_c 5.26045
_cell_angle_alpha 87.05018
_cell_angle_beta 117.28401
_cell_angle_gamma 116.62008
_cell_volume 92.56657
_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 0.12028 0.05670 0.04201 1.00000
Zn1 Zn 0.76544 0.56060 0.55644 1.00000
H1 H 0.17105 0.77635 0.33008 1.00000
H2 H 0.18788 0.32565 0.39369 1.00000
H3 H 0.56790 0.04107 0.03956 1.00000
H4 H 0.95998 0.40867 0.87395 1.00000
H5 H 0.52807 0.50810 0.96772 1.00000
H6 H 0.84259 0.90608 0.64136 1.00000
Pt1 Pt 0.85708 0.41688 0.15523 1.00000
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