HfMg(ZnH4)2
Alexandria ALEXAlex-ID: agm007183869 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_559_spg12
HfMgH6 Zn ZnH2
2025-05-27 08:00:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007183869).
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 agm007183869
data_agm007183869
_cell_length_a 4.63664
_cell_length_b 5.16632
_cell_length_c 5.10752
_cell_angle_alpha 103.59810
_cell_angle_beta 81.62723
_cell_angle_gamma 108.25034
_cell_volume 112.59202
_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
Hf1 Hf 0.50000 0.00000 0.50000 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.21357 0.43636 0.61176 1.00000
Zn2 Zn 0.78643 0.56364 0.38824 1.00000
H1 H 0.32192 0.25113 0.81318 1.00000
H2 H 0.82524 0.33872 0.69160 1.00000
H3 H 0.67808 0.74887 0.18682 1.00000
H4 H 0.20746 0.12900 0.33466 1.00000
H5 H 0.79254 0.87100 0.66534 1.00000
H6 H 0.72397 0.21488 0.20560 1.00000
H7 H 0.27603 0.78512 0.79440 1.00000
H8 H 0.17476 0.66128 0.30840 1.00000
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