Ba(NaCd2)2
Alexandria ALEXAlex-ID: agm005936232 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2516_spg71
Ba(NaCd2)2
2023-10-13 20:32:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005936232).
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 agm005936232
data_agm005936232
_cell_length_a 5.12127
_cell_length_b 3.86874
_cell_length_c 11.29503
_cell_angle_alpha 99.86101
_cell_angle_beta 103.10313
_cell_angle_gamma 90.00000
_cell_volume 214.56450
_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
Ba1 Ba 0.50000 0.00000 0.00000 1.00000
Na1 Na 0.79872 0.79872 0.59744 1.00000
Na2 Na 0.20128 0.20128 0.40256 1.00000
Cd1 Cd 0.64808 0.64808 0.29616 1.00000
Cd2 Cd 0.35192 0.35192 0.70384 1.00000
Cd3 Cd 0.07690 0.57690 0.15379 1.00000
Cd4 Cd 0.92310 0.42310 0.84621 1.00000
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