SrCdCuH6
Alexandria ALEXAlex-ID: agm007659693 · Space group: P2 (#3)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_713_spg143
CdH4 SrCuH3 Cd
2024-02-09 00:50:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007659693).
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 agm007659693
data_agm007659693
_cell_length_a 4.86446
_cell_length_b 4.56187
_cell_length_c 5.05184
_cell_angle_alpha 90.03442
_cell_angle_beta 90.01116
_cell_angle_gamma 101.23995
_cell_volume 109.95535
_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 0.77871 0.89056 0.97539 1.00000
Cd1 Cd 0.27774 0.88775 0.48416 1.00000
Cu1 Cu 0.77805 0.38920 0.46602 1.00000
H1 H 0.27842 0.88826 0.84795 1.00000
H2 H 0.58604 0.64472 0.44284 1.00000
H3 H 0.02467 0.58620 0.27579 1.00000
H4 H 0.53009 0.19025 0.27742 1.00000
H5 H 0.96941 0.13272 0.44571 1.00000
H6 H 0.77668 0.39010 0.78481 1.00000
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