MnZn(H4Pt)2
Alexandria ALEXAlex-ID: agm007586816 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_293_spg12
MnZnPt2 H2
2024-02-09 12:30:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007586816).
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 agm007586816
data_agm007586816
_cell_length_a 4.80957
_cell_length_b 4.62140
_cell_length_c 5.58786
_cell_angle_alpha 93.63826
_cell_angle_beta 91.78468
_cell_angle_gamma 117.43223
_cell_volume 109.75736
_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 0.93696 0.95570 0.04057 1.00000
Zn1 Zn 0.92108 0.79909 0.51797 1.00000
H1 H 0.77797 0.15044 0.32487 1.00000
H2 H 0.93619 0.51637 0.02321 1.00000
H3 H 0.19908 0.65262 0.59858 1.00000
H4 H 0.46538 0.00386 0.94190 1.00000
H5 H 0.08566 0.18006 0.75182 1.00000
H6 H 0.40703 0.57126 0.17060 1.00000
H7 H 0.62790 0.65929 0.74018 1.00000
H8 H 0.25964 0.09448 0.33337 1.00000
Pt1 Pt 0.29012 0.58912 0.86697 1.00000
Pt2 Pt 0.59298 0.32771 0.18995 1.00000
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