SrMg2CdH8
Alexandria ALEXAlex-ID: agm007455306 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
SrMgH4 MgH6 MgH2 Cd
2024-07-09 20:57:12.240173
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007455306).
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 agm007455306
data_agm007455306
_cell_length_a 6.58162
_cell_length_b 6.58162
_cell_length_c 4.73342
_cell_angle_alpha 67.53618
_cell_angle_beta 67.53618
_cell_angle_gamma 44.42714
_cell_volume 130.73373
_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
Sr1 Sr 0.50000 0.50000 0.50000 1.00000
Mg1 Mg 0.23827 0.23827 0.29343 1.00000
Mg2 Mg 0.76173 0.76173 0.70657 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
H1 H 0.92362 0.92362 0.73037 1.00000
H2 H 0.70367 0.70367 0.14012 1.00000
H3 H 0.07638 0.07638 0.26963 1.00000
H4 H 0.29633 0.29633 0.85988 1.00000
H5 H 0.11801 0.61354 0.31965 1.00000
H6 H 0.88199 0.38646 0.68035 1.00000
H7 H 0.61354 0.11801 0.31965 1.00000
H8 H 0.38646 0.88199 0.68035 1.00000
Get direct link