CsCuO
Alexandria ALEXAlex-ID: agm075404801 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_14678_spg2
CsCuO
2025-01-20 01:57:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075404801).
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 agm075404801
data_agm075404801
_cell_length_a 6.23763
_cell_length_b 6.31558
_cell_length_c 15.29148
_cell_angle_alpha 88.85997
_cell_angle_beta 88.19403
_cell_angle_gamma 58.17971
_cell_volume 511.60191
_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 0.59929 0.71294 0.82482 1.00000
Cs2 Cs 0.67676 0.63951 0.48954 1.00000
Cs3 Cs 0.72978 0.58400 0.17125 1.00000
Cs4 Cs 0.32422 0.36087 0.33634 1.00000
Cs5 Cs 0.39749 0.28773 0.99972 1.00000
Cs6 Cs 0.27091 0.41589 0.65443 1.00000
Cu1 Cu 0.00541 0.97797 0.24936 1.00000
Cu2 Cu 0.99981 0.99909 0.91294 1.00000
Cu3 Cu 0.99548 0.02303 0.57726 1.00000
Cu4 Cu 0.85092 0.13882 0.74422 1.00000
Cu5 Cu 0.00057 0.00047 0.41317 1.00000
Cu6 Cu 0.14888 0.86038 0.08235 1.00000
O1 O 0.10873 0.76128 0.50014 1.00000
O2 O 0.11476 0.70642 0.17973 1.00000
O3 O 0.73961 0.06260 0.84427 1.00000
O4 O 0.25994 0.93478 0.98179 1.00000
O5 O 0.88511 0.29417 0.64720 1.00000
O6 O 0.89234 0.24003 0.32631 1.00000
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