NaAcCo
Alexandria ALEXAlex-ID: agm005659381 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_8744_spg11
AcCo Na
2023-06-19 11:04:08.142969
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659381).
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 agm005659381
data_agm005659381
_cell_length_a 4.13505
_cell_length_b 4.19526
_cell_length_c 10.93900
_cell_angle_alpha 101.05078
_cell_angle_beta 89.99107
_cell_angle_gamma 89.99857
_cell_volume 186.24709
_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
Na1 Na 0.84668 0.78927 0.00147 1.00000
Na2 Na 0.34745 0.19966 0.82207 1.00000
Ac1 Ac 0.34679 0.41683 0.25493 1.00000
Ac2 Ac 0.84681 0.57340 0.56862 1.00000
Co1 Co 0.34673 0.01584 0.45316 1.00000
Co2 Co 0.84675 0.97454 0.37039 1.00000
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