CsBeNb
Alexandria ALEXAlex-ID: agm003045563 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_660_spg8
Be3Nb Cs Be2Nb3
2015-04-05 23:33:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003045563).
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 agm003045563
data_agm003045563
_cell_length_a 3.58462
_cell_length_b 13.00749
_cell_length_c 4.65287
_cell_angle_alpha 83.17215
_cell_angle_beta 67.36331
_cell_angle_gamma 97.54827
_cell_volume 195.06752
_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 0.31309 0.83777 0.93176 1.00000
Cs2 Cs 0.27104 0.44856 0.59570 1.00000
Be1 Be 0.72791 0.19789 0.44483 1.00000
Be2 Be 0.37728 0.24522 0.19145 1.00000
Nb1 Nb 0.98683 0.15975 0.89081 1.00000
Nb2 Nb 0.21206 0.06219 0.34724 1.00000
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