MgCd(H4Pt)2
Alexandria ALEXAlex-ID: agm007462330 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_303_spg148
CdHPt MgH6Pt CdH6Pt
2024-02-08 22:23:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007462330).
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 agm007462330
data_agm007462330
_cell_length_a 4.97540
_cell_length_b 3.66041
_cell_length_c 6.87389
_cell_angle_alpha 90.68574
_cell_angle_beta 80.71783
_cell_angle_gamma 68.70836
_cell_volume 114.77622
_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 0.22325 0.86981 0.45840 1.00000
Cd1 Cd 0.74443 0.10256 0.90003 1.00000
H1 H 0.26344 0.35008 0.02208 1.00000
H2 H 0.93417 0.50151 0.65843 1.00000
H3 H 0.59598 0.68338 0.13933 1.00000
H4 H 0.23204 0.36668 0.29808 1.00000
H5 H 0.71285 0.63007 0.43217 1.00000
H6 H 0.48782 0.23164 0.58921 1.00000
H7 H 0.90839 0.02926 0.22501 1.00000
H8 H 0.26896 0.84063 0.78358 1.00000
Pt1 Pt 0.91308 0.52665 0.21529 1.00000
Pt2 Pt 0.21557 0.36773 0.77837 1.00000
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