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EuTl(WO4)2

Alexandria ALEX

Alex-ID: agm005290171 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
EuTl(WO4)2
Alex-ID
agm005290171
Elements
4
Sites
24
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
350.96
ų
Cell a
7.8318
Å
Cell b
7.8318
Å
Cell c
7.5148
Å
α angle
62.42
°
β angle
62.42
°
γ angle
88.82
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuTl(WO4)2
Eu
2.00 · 8.3%
Tl
2.00 · 8.3%
W
4.00 · 16.7%
O
16.00 · 66.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-2.3043
eV/atom
Corrected total energy
-211.7280
eV
Raw total energy
-183.0874
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0061
eV
DOS at Fermi level
35.4149
Total magnetisation
11.9460
μB

Additional Information

Prototype ID

ABC2D8_2_spg15

Decomposition

EuTl(WO4)2

Computed at

2022-12-13 00:01:15.013104

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: agm005290171).

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 agm005290171
data_agm005290171
_cell_length_a     7.83181
_cell_length_b     7.83181
_cell_length_c     7.51480
_cell_angle_alpha  62.42011
_cell_angle_beta   62.42011
_cell_angle_gamma  88.81566
_cell_volume       350.95574
_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 0.77542 0.22458 0.75000 1.00000
  Eu2 Eu 0.22458 0.77542 0.25000 1.00000
  Tl1 Tl 0.21842 0.78158 0.75000 1.00000
  Tl2 Tl 0.78158 0.21842 0.25000 1.00000
  W1 W 0.69948 0.68888 0.79022 1.00000
  W2 W 0.30052 0.31112 0.20978 1.00000
  W3 W 0.31112 0.30052 0.70978 1.00000
  W4 W 0.68888 0.69948 0.29022 1.00000
  O1 O 0.62573 0.74361 0.56126 1.00000
  O2 O 0.37427 0.25639 0.43874 1.00000
  O3 O 0.25639 0.37427 0.93874 1.00000
  O4 O 0.74361 0.62573 0.06126 1.00000
  O5 O 0.36259 0.06262 0.86919 1.00000
  O6 O 0.63741 0.93738 0.13081 1.00000
  O7 O 0.93738 0.63741 0.63081 1.00000
  O8 O 0.06262 0.36259 0.36919 1.00000
  O9 O 0.59165 0.37603 0.96856 1.00000
  O10 O 0.40835 0.62397 0.03144 1.00000
  O11 O 0.62397 0.40835 0.53144 1.00000
  O12 O 0.37603 0.59165 0.46856 1.00000
  O13 O 0.76483 0.95187 0.69381 1.00000
  O14 O 0.23517 0.04813 0.30619 1.00000
  O15 O 0.04813 0.23517 0.80619 1.00000
  O16 O 0.95187 0.76483 0.19381 1.00000
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