MgZn(CdH4)2
Alexandria ALEXAlex-ID: agm007235680 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1035_spg1
MgH6 Cd Zn CdH4
2024-01-28 15:26:35.220466
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007235680).
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 agm007235680
data_agm007235680
_cell_length_a 5.12021
_cell_length_b 5.77595
_cell_length_c 5.77935
_cell_angle_alpha 106.11023
_cell_angle_beta 109.16785
_cell_angle_gamma 84.96392
_cell_volume 155.10262
_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 0.53929 0.32417 0.10967 1.00000
Zn1 Zn 0.97731 0.83650 0.85388 1.00000
Cd1 Cd 0.08804 0.67425 0.33120 1.00000
Cd2 Cd 0.92132 0.28339 0.66464 1.00000
H1 H 0.28322 0.39673 0.29296 1.00000
H2 H 0.19065 0.83395 0.68289 1.00000
H3 H 0.18238 0.87444 0.15390 1.00000
H4 H 0.76155 0.60169 0.73339 1.00000
H5 H 0.75210 0.14066 0.33025 1.00000
H6 H 0.79185 0.10292 0.85576 1.00000
H7 H 0.71404 0.61916 0.20745 1.00000
H8 H 0.29826 0.31214 0.78401 1.00000
Get direct link