MgZn(CoH4)2
Alexandria ALEXAlex-ID: agm007444129 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_424_spg12
ZnH2 Mg3(CoH6)2 H2 CoH
2024-03-16 03:40:27.908006
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007444129).
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 agm007444129
data_agm007444129
_cell_length_a 4.16535
_cell_length_b 4.87444
_cell_length_c 4.99910
_cell_angle_alpha 83.31756
_cell_angle_beta 105.53921
_cell_angle_gamma 115.12802
_cell_volume 88.53531
_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 0.00299 0.00214 0.00057 1.00000
Zn1 Zn 0.50010 0.50033 0.50038 1.00000
Co1 Co 0.82727 0.19730 0.42920 1.00000
Co2 Co 0.17227 0.80247 0.57062 1.00000
H1 H 0.27000 0.76894 0.89370 1.00000
H2 H 0.03815 0.54651 0.32050 1.00000
H3 H 0.39939 0.96016 0.32391 1.00000
H4 H 0.72798 0.23075 0.10604 1.00000
H5 H 0.60066 0.03806 0.67675 1.00000
H6 H 0.96109 0.45330 0.67930 1.00000
H7 H 0.15407 0.12107 0.64809 1.00000
H8 H 0.84602 0.87897 0.35093 1.00000
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