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K8NaIn4

Alexandria ALEX

Alex-ID: agm097803590 · Space group: Cm (#8)

Basic Information

Formula
K8NaIn4
Alex-ID
agm097803590
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
626.38
ų
Cell a
5.6777
Å
Cell b
11.6912
Å
Cell c
10.9069
Å
α angle
65.05
°
β angle
74.89
°
γ angle
75.94
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
K8NaIn4
K
8.00 · 61.5%
Na
1.00 · 7.7%
In
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1140
eV/atom
Formation energy
0.0382
eV/atom
Corrected total energy
-20.7181
eV
Raw total energy
-20.7181
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.8537
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1199_spg1

Decomposition

Na2In K8In11 K

Computed at

2025-06-17 02:53:00

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097803590).

Reference

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

BibTeX
@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…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm097803590
data_agm097803590
_cell_length_a     5.67770
_cell_length_b     11.69118
_cell_length_c     10.90685
_cell_angle_alpha  65.05199
_cell_angle_beta   74.88876
_cell_angle_gamma  75.94281
_cell_volume       626.38361
_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 0.18724 0.20288 0.27072 1.00000
  K2 K 0.97570 0.71546 0.17789 1.00000
  K3 K 0.33153 0.59620 0.58830 1.00000
  K4 K 0.51923 0.17029 0.63752 1.00000
  K5 K 0.76632 0.91933 0.39664 1.00000
  K6 K 0.57653 0.45911 0.23360 1.00000
  K7 K 0.82127 0.31971 0.88377 1.00000
  K8 K 0.62797 0.75692 0.83320 1.00000
  Na1 Na 0.40592 0.00195 0.03132 1.00000
  In1 In 0.99053 0.99193 0.87050 1.00000
  In2 In 0.17724 0.51624 0.97341 1.00000
  In3 In 0.97688 0.40455 0.48739 1.00000
  In4 In 0.14364 0.94543 0.61574 1.00000
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