MnZn(H4Pt)2
Alexandria ALEXAlex-ID: agm007465313 · Space group: P-4m2 (#115)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_165_spg5
MnZnPt2 H2
2025-05-27 08:08:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007465313).
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 agm007465313
data_agm007465313
_cell_length_a 3.78025
_cell_length_b 3.78079
_cell_length_c 7.78205
_cell_angle_alpha 90.03618
_cell_angle_beta 90.15611
_cell_angle_gamma 90.20115
_cell_volume 111.22253
_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
Mn1 Mn 0.20516 0.20819 0.99994 1.00000
Zn1 Zn 0.70902 0.70890 0.49997 1.00000
H1 H 0.70786 0.20866 0.47131 1.00000
H2 H 0.70581 0.20794 0.03815 1.00000
H3 H 0.20890 0.70771 0.52871 1.00000
H4 H 0.21340 0.70820 0.96186 1.00000
H5 H 0.20975 0.20828 0.74246 1.00000
H6 H 0.70638 0.70832 0.24517 1.00000
H7 H 0.70973 0.70861 0.75486 1.00000
H8 H 0.20706 0.20854 0.25755 1.00000
Pt1 Pt 0.20995 0.70824 0.74473 1.00000
Pt2 Pt 0.70699 0.20841 0.25530 1.00000
Get direct link