Cs2Na5Cd4
Alexandria ALEXAlex-ID: agm005662942 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_0_spg12
Na6Cd7 Cs Na
2023-06-22 05:06:22.576083
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662942).
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 agm005662942
data_agm005662942
_cell_length_a 7.23975
_cell_length_b 8.87440
_cell_length_c 8.85785
_cell_angle_alpha 70.45995
_cell_angle_beta 65.87910
_cell_angle_gamma 65.92697
_cell_volume 464.52570
_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
Cs1 Cs 0.27910 0.78614 0.65565 1.00000
Cs2 Cs 0.72090 0.21386 0.34435 1.00000
Na1 Na 0.19591 0.25054 0.85238 1.00000
Na2 Na 0.80409 0.74946 0.14762 1.00000
Na3 Na 0.00000 0.50000 0.50000 1.00000
Na4 Na 0.70117 0.25054 0.85238 1.00000
Na5 Na 0.29883 0.74946 0.14762 1.00000
Cd1 Cd 0.38119 0.06930 0.16833 1.00000
Cd2 Cd 0.61881 0.93070 0.83167 1.00000
Cd3 Cd 0.77293 0.56471 0.88943 1.00000
Cd4 Cd 0.22707 0.43529 0.11057 1.00000
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