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Eu2MgWO6

Alexandria ALEX

Alex-ID: agm002174829 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Eu2MgWO6
Alex-ID
agm002174829
Elements
4
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
127.27
ų
Cell a
5.6366
Å
Cell b
5.6268
Å
Cell c
5.6599
Å
α angle
59.83
°
β angle
59.88
°
γ angle
60.66
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu2MgWO6
Eu
2.00 · 20.0%
Mg
1.00 · 10.0%
O
6.00 · 60.0%
W
1.00 · 10.0%

Energy & Stability

Energy above hull
0.0076
eV/atom
Formation energy
-2.9637
eV/atom
Corrected total energy
-94.4828
eV
Raw total energy
-85.9180
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0006
eV
DOS at Fermi level
23.8614
Total magnetisation
14.0000
μB

Additional Information

Prototype ID

ABC2D6_468_spg2

Decomposition

Eu2MgWO6

Computed at

2023-03-26 15:27:36.149839

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: agm002174829).

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 agm002174829
data_agm002174829
_cell_length_a     5.63656
_cell_length_b     5.62682
_cell_length_c     5.65988
_cell_angle_alpha  59.82625
_cell_angle_beta   59.87921
_cell_angle_gamma  60.66018
_cell_volume       127.26525
_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 0.26777 0.23328 0.24932 1.00000
  Eu2 Eu 0.73222 0.76673 0.75062 1.00000
  Mg1 Mg 0.49998 0.49999 0.50002 1.00000
  O1 O 0.29501 0.80506 0.70277 1.00000
  O2 O 0.70451 0.19601 0.80320 1.00000
  O3 O 0.29552 0.80397 0.19678 1.00000
  O4 O 0.84814 0.67293 0.23904 1.00000
  O5 O 0.70498 0.19497 0.29721 1.00000
  O6 O 0.15187 0.32707 0.76102 1.00000
  W1 W 1.00000 1.00000 0.00000 1.00000
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