SrNbCu
Alexandria ALEXAlex-ID: agm003061985 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_82_spg11
Nb SrCu
2023-03-25 09:15:38.413955
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003061985).
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 agm003061985
data_agm003061985
_cell_length_a 5.36280
_cell_length_b 6.12414
_cell_length_c 4.59320
_cell_angle_alpha 90.00202
_cell_angle_beta 89.99871
_cell_angle_gamma 103.05943
_cell_volume 146.95078
_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 0.53181 0.35999 0.54569 1.00000
Sr2 Sr 0.99124 0.18881 0.04572 1.00000
Nb1 Nb 0.35958 0.76874 0.04577 1.00000
Nb2 Nb 0.16368 0.78002 0.54574 1.00000
Cu1 Cu 0.68687 0.86135 0.54601 1.00000
Cu2 Cu 0.83644 0.68754 0.04589 1.00000
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