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TmAg(GeO3)2

Alexandria ALEX

Alex-ID: agm017155754 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
TmAg(GeO3)2
Alex-ID
agm017155754
Elements
4
Sites
20
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
280.98
ų
Cell a
7.1921
Å
Cell b
7.1921
Å
Cell c
5.7272
Å
α angle
76.96
°
β angle
103.04
°
γ angle
94.93
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TmAg(GeO3)2
Tm
2.00 · 10.0%
Ag
2.00 · 10.0%
Ge
4.00 · 20.0%
O
12.00 · 60.0%

Energy & Stability

Energy above hull
0.0101
eV/atom
Formation energy
-2.3627
eV/atom
Corrected total energy
-139.8676
eV
Raw total energy
-131.4401
eV

Electronic Structure

Indirect band gap
1.8719
eV
Direct band gap
1.9242
eV
DOS at Fermi level
0.0000
Total magnetisation
0.0004
μB

Additional Information

Prototype ID

ABC2D6_307_spg15

Decomposition

Ag2GeO3 Tm2Ge2O7 GeO2

Computed at

2025-02-28 03:49:22

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: agm017155754).

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 agm017155754
data_agm017155754
_cell_length_a     7.19213
_cell_length_b     7.19213
_cell_length_c     5.72724
_cell_angle_alpha  76.96263
_cell_angle_beta   103.03737
_cell_angle_gamma  94.93322
_cell_volume       280.98296
_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
  Tm1 Tm 0.60933 0.60933 0.75000 1.00000
  Tm2 Tm 0.39067 0.39067 0.25000 1.00000
  Ag1 Ag 0.20213 0.20213 0.75000 1.00000
  Ag2 Ag 0.79787 0.79787 0.25000 1.00000
  Ge1 Ge 0.87684 0.29265 0.25041 1.00000
  Ge2 Ge 0.29265 0.87684 0.24959 1.00000
  Ge3 Ge 0.12316 0.70735 0.74959 1.00000
  Ge4 Ge 0.70735 0.12316 0.75041 1.00000
  O1 O 0.61157 0.89189 0.82150 1.00000
  O2 O 0.89189 0.61157 0.67850 1.00000
  O3 O 0.38843 0.10811 0.17850 1.00000
  O4 O 0.10811 0.38843 0.32150 1.00000
  O5 O 0.87469 0.15397 0.02515 1.00000
  O6 O 0.15397 0.87469 0.47485 1.00000
  O7 O 0.12531 0.84603 0.97485 1.00000
  O8 O 0.84603 0.12531 0.52515 1.00000
  O9 O 0.54869 0.31331 0.64074 1.00000
  O10 O 0.31331 0.54869 0.85926 1.00000
  O11 O 0.45131 0.68669 0.35926 1.00000
  O12 O 0.68669 0.45131 0.14074 1.00000
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