K8Na4Y
Alexandria ALEXAlex-ID: agm097873604 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_800_spg8
K KNa2 Y
2025-06-22 05:00:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097873604).
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 agm097873604
data_agm097873604
_cell_length_a 4.17809
_cell_length_b 14.50971
_cell_length_c 14.36951
_cell_angle_alpha 57.28916
_cell_angle_beta 98.04450
_cell_angle_gamma 89.72215
_cell_volume 722.36284
_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
K1 K 0.67341 0.21012 0.20801 1.00000
K2 K 0.67210 0.80423 0.18757 1.00000
K3 K 0.89812 0.73666 0.66925 1.00000
K4 K 0.36304 0.07422 0.56168 1.00000
K5 K 0.34070 0.56670 0.51586 1.00000
K6 K 0.20168 0.46809 0.26443 1.00000
K7 K 0.01011 0.36974 0.84767 1.00000
K8 K 0.03905 0.83263 0.90365 1.00000
Na1 Na 0.11202 0.06942 0.06867 1.00000
Na2 Na 0.56314 0.54216 0.97303 1.00000
Na3 Na 0.87900 0.29837 0.58908 1.00000
Na4 Na 0.24618 0.91040 0.37634 1.00000
Y1 Y 0.50144 0.11726 0.83477 1.00000
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