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KLaEuSbO6

Alexandria ALEX

Alex-ID: agm005255489 · Space group: Pc (#7)

Alexandria Database API

Basic Information

Formula
KLaEuSbO6
Alex-ID
agm005255489
Elements
5
Sites
20
Space group
Pc (#7)
Crystal system
monoclinic
Volume
306.21
ų
Cell a
6.1266
Å
Cell b
5.9103
Å
Cell c
10.2628
Å
α angle
55.49
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
KLaEuSbO6
K
2.00 · 10.0%
La
2.00 · 10.0%
Eu
2.00 · 10.0%
Sb
2.00 · 10.0%
O
12.00 · 60.0%

Energy & Stability

Energy above hull
0.0755
eV/atom
Formation energy
-2.7350
eV/atom
Corrected total energy
-155.0518
eV
Raw total energy
-146.6243
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0067
eV
DOS at Fermi level
26.5257
Total magnetisation
-11.9655
μB

Additional Information

Prototype ID

ABCDE6_4_spg7

Decomposition

Eu3SbO7 La3SbO7 K3SbO4

Computed at

2023-05-08 11:52:34.742907

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: agm005255489).

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 agm005255489
data_agm005255489
_cell_length_a     6.12656
_cell_length_b     5.91031
_cell_length_c     10.26279
_cell_angle_alpha  55.48817
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       306.21361
_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 0.77063 0.74363 0.75086 1.00000
  K2 K 0.22937 0.74363 0.25086 1.00000
  La1 La 0.77265 0.99985 0.00139 1.00000
  La2 La 0.22735 0.99985 0.50139 1.00000
  Eu1 Eu 0.31561 0.27216 0.75143 1.00000
  Eu2 Eu 0.68439 0.27216 0.25143 1.00000
  Sb1 Sb 0.25022 0.50242 0.99887 1.00000
  Sb2 Sb 0.74978 0.50242 0.49887 1.00000
  O1 O 0.47129 0.70977 0.04077 1.00000
  O2 O 0.91885 0.28050 0.43880 1.00000
  O3 O 0.08115 0.28050 0.93880 1.00000
  O4 O 0.52871 0.70977 0.54077 1.00000
  O5 O 0.96901 0.59426 0.06312 1.00000
  O6 O 0.49677 0.33989 0.44738 1.00000
  O7 O 0.50323 0.33989 0.94738 1.00000
  O8 O 0.03099 0.59426 0.56312 1.00000
  O9 O 0.22467 0.85446 0.77752 1.00000
  O10 O 0.69750 0.20349 0.72951 1.00000
  O11 O 0.30250 0.20349 0.22951 1.00000
  O12 O 0.77533 0.85446 0.27752 1.00000
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