CaCd3H8
Alexandria ALEXAlex-ID: agm007455282 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_201_spg121
CaH10 Cd CaH2
2024-02-08 12:40:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007455282).
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 agm007455282
data_agm007455282
_cell_length_a 5.99418
_cell_length_b 5.99418
_cell_length_c 5.39799
_cell_angle_alpha 74.07902
_cell_angle_beta 74.07902
_cell_angle_gamma 52.97547
_cell_volume 147.39411
_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
Ca1 Ca 0.50000 0.50000 0.50000 1.00000
Cd1 Cd 0.72078 0.72078 0.82448 1.00000
Cd2 Cd 0.27922 0.27922 0.17552 1.00000
Cd3 Cd 0.00000 0.00000 0.00000 1.00000
H1 H 0.09905 0.09905 0.29810 1.00000
H2 H 0.31860 0.31860 0.82179 1.00000
H3 H 0.90095 0.90095 0.70190 1.00000
H4 H 0.68140 0.68140 0.17821 1.00000
H5 H 0.85266 0.36046 0.74546 1.00000
H6 H 0.14734 0.63954 0.25454 1.00000
H7 H 0.36046 0.85266 0.74546 1.00000
H8 H 0.63954 0.14734 0.25454 1.00000
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