Na6NiGe8
Alexandria ALEXAlex-ID: agm072147972 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_815_spg1
NiGe Ge NaGe
2024-10-06 23:22:49.855496
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072147972).
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 agm072147972
data_agm072147972
_cell_length_a 6.04721
_cell_length_b 6.51334
_cell_length_c 8.79759
_cell_angle_alpha 86.82767
_cell_angle_beta 88.78905
_cell_angle_gamma 90.31680
_cell_volume 345.89928
_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 0.59953 0.90888 0.70791 1.00000
Na2 Na 0.77828 0.58962 0.04103 1.00000
Na3 Na 0.86607 0.31840 0.38135 1.00000
Na4 Na 0.35006 0.10896 0.32442 1.00000
Na5 Na 0.29502 0.37258 0.95768 1.00000
Na6 Na 0.09597 0.70038 0.62577 1.00000
Ni1 Ni 0.00245 0.04172 0.88655 1.00000
Ge1 Ge 0.69608 0.03461 0.05936 1.00000
Ge2 Ge 0.30382 0.88554 0.01258 1.00000
Ge3 Ge 0.51460 0.64280 0.40770 1.00000
Ge4 Ge 0.84180 0.86267 0.32004 1.00000
Ge5 Ge 0.18831 0.64357 0.23644 1.00000
Ge6 Ge 0.48713 0.38517 0.62521 1.00000
Ge7 Ge 0.14381 0.16054 0.64074 1.00000
Ge8 Ge 0.83707 0.34456 0.77322 1.00000
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