Mg2CdH8Se
Alexandria ALEXAlex-ID: agm007444502 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1445_spg12
MgH6 CdH4 MgSe Cd
2024-02-10 17:58:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007444502).
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 agm007444502
data_agm007444502
_cell_length_a 3.32485
_cell_length_b 5.06772
_cell_length_c 11.18982
_cell_angle_alpha 87.59004
_cell_angle_beta 114.17700
_cell_angle_gamma 98.51442
_cell_volume 170.07198
_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 0.80492 0.34707 0.14064 1.00000
Mg2 Mg 0.19508 0.65293 0.85936 1.00000
Cd1 Cd 0.50000 0.50000 0.50000 1.00000
H1 H 0.22157 0.31678 0.96078 1.00000
H2 H 0.79772 0.92653 0.26937 1.00000
H3 H 0.44420 0.43297 0.22462 1.00000
H4 H 0.77843 0.68322 0.03922 1.00000
H5 H 0.55580 0.56703 0.77538 1.00000
H6 H 0.20228 0.07347 0.73063 1.00000
H7 H 0.02427 0.98212 0.67654 1.00000
H8 H 0.97573 0.01788 0.32346 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
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