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Eu2MnSbO7

Alexandria ALEX

Alex-ID: agm005265577 · Space group: Imma (#74)

Alexandria Database API

Basic Information

Formula
Eu2MnSbO7
Alex-ID
agm005265577
Elements
4
Sites
22
Space group
Imma (#74)
Crystal system
orthorhombic
Volume
281.31
ų
Cell a
7.3462
Å
Cell b
7.3462
Å
Cell c
7.3462
Å
α angle
119.93
°
β angle
119.60
°
γ angle
90.41
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2MnSbO7
Eu
4.00 · 18.2%
Mn
2.00 · 9.1%
Sb
2.00 · 9.1%
O
14.00 · 63.6%

Energy & Stability

Energy above hull
0.0840
eV/atom
Formation energy
-2.4946
eV/atom
Corrected total energy
-191.9773
eV
Raw total energy
-178.7835
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0028
eV
DOS at Fermi level
19.3712
Total magnetisation
28.0000
μB

Additional Information

Prototype ID

ABC2D7_42_spg74

Decomposition

EuMnSbO6 Eu3SbO7 Mn2O3 Eu(SbO3)2

Computed at

2022-12-12 21:39:14.858913

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: agm005265577).

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 agm005265577
data_agm005265577
_cell_length_a     7.34615
_cell_length_b     7.34615
_cell_length_c     7.34615
_cell_angle_alpha  119.93043
_cell_angle_beta   119.60190
_cell_angle_gamma  90.40573
_cell_volume       281.30718
_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 0.00000 0.50000 0.00000 1.00000
  Eu2 Eu 0.00000 0.00000 0.50000 1.00000
  Eu3 Eu 0.00000 0.50000 0.50000 1.00000
  Eu4 Eu 0.50000 0.50000 0.00000 1.00000
  Mn1 Mn 0.50000 0.00000 0.00000 1.00000
  Mn2 Mn 0.50000 0.50000 0.50000 1.00000
  Sb1 Sb 0.50000 0.00000 0.50000 1.00000
  Sb2 Sb 0.00000 0.00000 0.00000 1.00000
  O1 O 0.83020 0.08020 0.75000 1.00000
  O2 O 0.42819 0.67819 0.75000 1.00000
  O3 O 0.82231 0.67245 0.74608 1.00000
  O4 O 0.42637 0.07623 0.75392 1.00000
  O5 O 0.82231 0.07623 0.14986 1.00000
  O6 O 0.42637 0.67245 0.35014 1.00000
  O7 O 0.16980 0.91980 0.25000 1.00000
  O8 O 0.57181 0.32181 0.25000 1.00000
  O9 O 0.17769 0.32755 0.25392 1.00000
  O10 O 0.57363 0.92377 0.24608 1.00000
  O11 O 0.17769 0.92377 0.85014 1.00000
  O12 O 0.57363 0.32755 0.64986 1.00000
  O13 O 0.87521 0.62521 0.25000 1.00000
  O14 O 0.12479 0.37479 0.75000 1.00000
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