K2CdH4
Alexandria ALEXAlex-ID: agm096325318 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_44_spg2
K2CdH4
2025-04-10 19:50:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096325318).
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
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# CIF generated by HEAS from Alexandria entry agm096325318
data_agm096325318
_cell_length_a 4.60118
_cell_length_b 5.86437
_cell_length_c 5.90674
_cell_angle_alpha 59.78196
_cell_angle_beta 90.02151
_cell_angle_gamma 90.06163
_cell_volume 137.72438
_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
K1 K 0.92979 0.86224 0.17055 1.00000
K2 K 0.49909 0.13775 0.53290 1.00000
Cd1 Cd 0.21430 0.50009 0.93770 1.00000
H1 H 0.44292 0.68858 0.05122 1.00000
H2 H 0.02022 0.75763 0.65483 1.00000
H3 H 0.98598 0.31183 0.23994 1.00000
H4 H 0.40770 0.24189 0.91287 1.00000
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