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Ce8Ag6Ge8O

Alexandria ALEX

Alex-ID: agm005276435 · Space group: Pmc2_1 (#26)

Alexandria Database API

Basic Information

Formula
Ce8Ag6Ge8O
Alex-ID
agm005276435
Elements
4
Sites
46
Space group
Pmc2_1 (#26)
Crystal system
orthorhombic
Volume
1,012.54
ų
Cell a
4.3833
Å
Cell b
11.1876
Å
Cell c
20.6476
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce8Ag6Ge8O
Ce
16.00 · 34.8%
Ag
12.00 · 26.1%
Ge
16.00 · 34.8%
O
2.00 · 4.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7816
eV/atom
Corrected total energy
-248.9030
eV
Raw total energy
-247.4984
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0019
eV
DOS at Fermi level
95.3771
Total magnetisation
13.8650
μB

Additional Information

Prototype ID

AB6C8D8_0_spg26

Decomposition

Ce8Ag6Ge8O

Computed at

2022-12-15 07:21:19.883638

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: agm005276435).

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 agm005276435
data_agm005276435
_cell_length_a     4.38332
_cell_length_b     11.18758
_cell_length_c     20.64764
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       1012.53507
_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
  Ce1 Ce 0.25000 0.70597 0.34923 1.00000
  Ce2 Ce 0.25000 0.79403 0.84923 1.00000
  Ce3 Ce 0.75000 0.29104 0.65013 1.00000
  Ce4 Ce 0.75000 0.20896 0.15013 1.00000
  Ce5 Ce 0.25000 0.13350 0.89449 1.00000
  Ce6 Ce 0.25000 0.36650 0.39449 1.00000
  Ce7 Ce 0.75000 0.86811 0.10508 1.00000
  Ce8 Ce 0.75000 0.63189 0.60508 1.00000
  Ce9 Ce 0.25000 0.12849 0.53375 1.00000
  Ce10 Ce 0.25000 0.37151 0.03375 1.00000
  Ce11 Ce 0.75000 0.86675 0.47006 1.00000
  Ce12 Ce 0.75000 0.63325 0.97006 1.00000
  Ce13 Ce 0.25000 0.04873 0.71263 1.00000
  Ce14 Ce 0.25000 0.45127 0.21263 1.00000
  Ce15 Ce 0.75000 0.95331 0.28338 1.00000
  Ce16 Ce 0.75000 0.54669 0.78338 1.00000
  Ag1 Ag 0.25000 0.65549 0.09678 1.00000
  Ag2 Ag 0.25000 0.84451 0.59678 1.00000
  Ag3 Ag 0.75000 0.35499 0.90306 1.00000
  Ag4 Ag 0.75000 0.14501 0.40306 1.00000
  Ag5 Ag 0.25000 0.33743 0.78536 1.00000
  Ag6 Ag 0.25000 0.16257 0.28536 1.00000
  Ag7 Ag 0.75000 0.66949 0.22142 1.00000
  Ag8 Ag 0.75000 0.83051 0.72142 1.00000
  Ag9 Ag 0.25000 0.05630 0.04423 1.00000
  Ag10 Ag 0.25000 0.44370 0.54423 1.00000
  Ag11 Ag 0.75000 0.93914 0.95312 1.00000
  Ag12 Ag 0.75000 0.56086 0.45312 1.00000
  Ge1 Ge 0.25000 0.01628 0.17708 1.00000
  Ge2 Ge 0.25000 0.48372 0.67708 1.00000
  Ge3 Ge 0.75000 0.97986 0.82382 1.00000
  Ge4 Ge 0.75000 0.52014 0.32382 1.00000
  Ge5 Ge 0.25000 0.50705 0.89121 1.00000
  Ge6 Ge 0.25000 0.99295 0.39121 1.00000
  Ge7 Ge 0.75000 0.52078 0.10751 1.00000
  Ge8 Ge 0.75000 0.97922 0.60751 1.00000
  Ge9 Ge 0.25000 0.80000 0.21121 1.00000
  Ge10 Ge 0.25000 0.70000 0.71121 1.00000
  Ge11 Ge 0.75000 0.20055 0.78856 1.00000
  Ge12 Ge 0.75000 0.29945 0.28856 1.00000
  Ge13 Ge 0.25000 0.81918 0.99752 1.00000
  Ge14 Ge 0.25000 0.68082 0.49752 1.00000
  Ge15 Ge 0.75000 0.18418 0.00128 1.00000
  Ge16 Ge 0.75000 0.31582 0.50128 1.00000
  O1 O 0.25000 0.19971 0.63811 1.00000
  O2 O 0.25000 0.30029 0.13811 1.00000
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