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EuTiCdSbO7

Alexandria ALEX

Alex-ID: agm077907694 · Space group: Imma (#74)

Alexandria Database API

Basic Information

Formula
EuTiCdSbO7
Alex-ID
agm077907694
Elements
5
Sites
22
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
280.65
ų
Cell a
7.3391
Å
Cell b
7.3391
Å
Cell c
7.3391
Å
α angle
120.60
°
β angle
118.82
°
γ angle
90.51
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuTiCdSbO7
Eu
2.00 · 9.1%
Ti
2.00 · 9.1%
Cd
2.00 · 9.1%
Sb
2.00 · 9.1%
O
14.00 · 63.6%

Energy & Stability

Energy above hull
0.0008
eV/atom
Formation energy
-2.6239
eV/atom
Corrected total energy
-173.5707
eV
Raw total energy
-163.7387
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0036
eV
DOS at Fermi level
9.7719
Total magnetisation
11.9999
μB

Additional Information

Prototype ID

ABCDE7_8_spg74

Decomposition

EuTiCdSbO7

Computed at

2025-01-09 23:26:01

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: agm077907694).

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 agm077907694
data_agm077907694
_cell_length_a     7.33913
_cell_length_b     7.33913
_cell_length_c     7.33913
_cell_angle_alpha  120.60073
_cell_angle_beta   118.81834
_cell_angle_gamma  90.51071
_cell_volume       280.65483
_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
  Eu1 Eu 0.50000 0.00000 0.50000 1.00000
  Eu2 Eu 0.00000 0.00000 0.00000 1.00000
  Ti1 Ti 0.50000 0.00000 0.00000 1.00000
  Ti2 Ti 0.50000 0.50000 0.50000 1.00000
  Cd1 Cd 0.00000 0.50000 0.00000 1.00000
  Cd2 Cd 0.00000 0.00000 0.50000 1.00000
  Sb1 Sb 0.00000 0.50000 0.50000 1.00000
  Sb2 Sb 0.50000 0.50000 0.00000 1.00000
  O1 O 0.18005 0.82475 0.75851 1.00000
  O2 O 0.81995 0.17525 0.24149 1.00000
  O3 O 0.56624 0.42155 0.74149 1.00000
  O4 O 0.43376 0.57845 0.25851 1.00000
  O5 O 0.81995 0.57845 0.64470 1.00000
  O6 O 0.18005 0.42155 0.35530 1.00000
  O7 O 0.43376 0.17525 0.85530 1.00000
  O8 O 0.56624 0.82475 0.14470 1.00000
  O9 O 0.57086 0.82086 0.75000 1.00000
  O10 O 0.42914 0.17914 0.25000 1.00000
  O11 O 0.87589 0.12589 0.75000 1.00000
  O12 O 0.12411 0.87411 0.25000 1.00000
  O13 O 0.17019 0.42019 0.75000 1.00000
  O14 O 0.82981 0.57981 0.25000 1.00000
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