Mg2ZnCuH6
Alexandria ALEXAlex-ID: agm007448651 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_811_spg1
Zn8Cu5 MgH6 MgH2 Cu
2025-05-27 03:03:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007448651).
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 agm007448651
data_agm007448651
_cell_length_a 4.74275
_cell_length_b 5.50155
_cell_length_c 5.56923
_cell_angle_alpha 66.08383
_cell_angle_beta 70.86353
_cell_angle_gamma 58.45947
_cell_volume 111.95743
_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 0.50305 0.76352 0.27858 1.00000
Mg2 Mg 0.37640 0.30440 0.79229 1.00000
Zn1 Zn 0.10709 0.88460 0.89904 1.00000
Cu1 Cu 0.19946 0.42731 0.33321 1.00000
H1 H 0.55734 0.33966 0.39522 1.00000
H2 H 0.72586 0.91351 0.89340 1.00000
H3 H 0.34610 0.69140 0.66737 1.00000
H4 H 0.08309 0.23230 0.67618 1.00000
H5 H 0.22314 0.22190 0.17685 1.00000
H6 H 0.88345 0.72037 0.38186 1.00000
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