Cs2SrNb
Alexandria ALEXAlex-ID: agm005490414 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_234_spg122
Cs Sr Nb
2023-03-19 04:51:50.327204
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005490414).
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 agm005490414
data_agm005490414
_cell_length_a 15.12039
_cell_length_b 15.12039
_cell_length_c 15.12039
_cell_angle_alpha 159.57989
_cell_angle_beta 159.57989
_cell_angle_gamma 29.03550
_cell_volume 420.59553
_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 0.63619 0.12500 0.01119 1.00000
Cs2 Cs 0.11381 0.62500 0.98881 1.00000
Cs3 Cs 0.87500 0.88619 0.51119 1.00000
Cs4 Cs 0.37500 0.36381 0.48881 1.00000
Sr1 Sr 0.25000 0.75000 0.50000 1.00000
Sr2 Sr 0.50000 0.50000 0.00000 1.00000
Nb1 Nb 0.75000 0.25000 0.50000 1.00000
Nb2 Nb 0.00000 0.00000 0.00000 1.00000
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