Zn2MoH8Pt
Alexandria ALEXAlex-ID: agm007757491 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1559_spg2
Mo2H3 Zn2Pt H2
2025-06-11 22:47:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007757491).
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 agm007757491
data_agm007757491
_cell_length_a 4.86054
_cell_length_b 5.19510
_cell_length_c 5.10150
_cell_angle_alpha 101.75573
_cell_angle_beta 77.46393
_cell_angle_gamma 61.97179
_cell_volume 103.77679
_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
Zn1 Zn 0.83664 0.84871 0.45799 1.00000
Zn2 Zn 0.16336 0.15129 0.54201 1.00000
Mo1 Mo 0.50000 0.50000 0.50000 1.00000
H1 H 0.43153 0.75847 0.86174 1.00000
H2 H 0.05492 0.67361 0.77581 1.00000
H3 H 0.56847 0.24153 0.13826 1.00000
H4 H 0.75613 0.48008 0.71747 1.00000
H5 H 0.24387 0.51992 0.28253 1.00000
H6 H 0.45549 0.24185 0.68218 1.00000
H7 H 0.54451 0.75815 0.31782 1.00000
H8 H 0.94508 0.32639 0.22419 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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