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Sr2EuGaCu2O7

Alexandria ALEX

Alex-ID: agm003233602 · Space group: Ima2 (#46)

Alexandria Database API

Basic Information

Formula
Sr2EuGaCu2O7
Alex-ID
agm003233602
Elements
5
Sites
26
Space group
Ima2 (#46)
Crystal system
orthorhombic
Volume
352.09
ų
Cell a
5.4297
Å
Cell b
5.5478
Å
Cell c
12.3165
Å
α angle
103.02
°
β angle
102.74
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2EuGaCu2O7
Sr
4.00 · 15.4%
Eu
2.00 · 7.7%
Ga
2.00 · 7.7%
Cu
4.00 · 15.4%
O
14.00 · 53.8%

Energy & Stability

Energy above hull
0.0123
eV/atom
Formation energy
-2.3396
eV/atom
Corrected total energy
-180.2497
eV
Raw total energy
-170.4177
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0398
eV
DOS at Fermi level
19.3403
Total magnetisation
-0.0017
μB

Additional Information

Prototype ID

ABC2D2E7_25_spg8

Decomposition

Eu(CuO2)2 SrCuO2 EuCuO2 Sr3Ga4O9 Eu2O3

Computed at

2021-12-12 15:44:29.420297

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: agm003233602).

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 agm003233602
data_agm003233602
_cell_length_a     5.42967
_cell_length_b     5.54779
_cell_length_c     12.31651
_cell_angle_alpha  103.01918
_cell_angle_beta   102.73646
_cell_angle_gamma  89.99692
_cell_volume       352.09444
_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
  Sr1 Sr 0.15081 0.17093 0.30429 1.00000
  Sr2 Sr 0.34610 0.36573 0.69538 1.00000
  Sr3 Sr 0.65077 0.63618 0.30423 1.00000
  Sr4 Sr 0.84605 0.83094 0.69532 1.00000
  Eu1 Eu 0.50112 0.50099 0.99980 1.00000
  Eu2 Eu 0.00111 0.00094 0.99980 1.00000
  Ga1 Ga 0.71222 0.18096 0.49985 1.00000
  Ga2 Ga 0.21217 0.82094 0.49978 1.00000
  Cu1 Cu 0.07710 0.57786 0.15036 1.00000
  Cu2 Cu 0.57711 0.07582 0.15031 1.00000
  Cu3 Cu 0.42616 0.92608 0.84924 1.00000
  Cu4 Cu 0.92617 0.42393 0.84924 1.00000
  O1 O 0.85076 0.36930 0.64513 1.00000
  O2 O 0.68513 0.68365 0.86922 1.00000
  O3 O 0.81991 0.81947 0.13583 1.00000
  O4 O 0.68351 0.18238 0.86371 1.00000
  O5 O 0.32010 0.81949 0.13589 1.00000
  O6 O 0.20550 0.63260 0.35450 1.00000
  O7 O 0.86150 0.86862 0.49982 1.00000
  O8 O 0.18375 0.18248 0.86376 1.00000
  O9 O 0.70569 0.22467 0.35468 1.00000
  O10 O 0.31578 0.31504 0.13035 1.00000
  O11 O 0.18493 0.68677 0.86924 1.00000
  O12 O 0.36152 0.13325 0.49981 1.00000
  O13 O 0.35067 0.77724 0.64495 1.00000
  O14 O 0.81595 0.31832 0.13036 1.00000
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