Ce3(Co2Ge3)2

Alexandria ALEX

Alex-ID: agm008294748 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula

Ce3(Co2Ge3)2

Alex-ID

agm008294748

Elements

Sites

Space group

P2_1/m (#11)

Crystal system

monoclinic

Volume

450.93

Å³

Cell a

8.5601

Cell b

4.2285

Cell c

12.6401

α angle

90.00

β angle

99.74

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Ce3(Co2Ge3)2

6.00 · 23.1%

8.00 · 30.8%

12.00 · 46.2%

Energy & Stability

Energy above hull

0.0217

eV/atom

Formation energy

-0.6069

eV/atom

Corrected total energy

-163.7806

Raw total energy

-163.7806

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0009

DOS at Fermi level

24.6552

Total magnetisation

-0.0001

μB

Additional Information

Prototype ID

A3B4C6_14_spg11

Decomposition

CeCoGe2 Ce(CoGe)2

Computed at

2024-12-17 07:47:38

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: agm008294748).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm008294748
data_agm008294748
_cell_length_a     8.56006
_cell_length_b     4.22847
_cell_length_c     12.64013
_cell_angle_alpha  90.00000
_cell_angle_beta   99.73687
_cell_angle_gamma  90.00000
_cell_volume       450.93104
_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 0.76271 0.25000 0.55202 1.00000
  Ce2 Ce 0.58648 0.25000 0.81563 1.00000
  Ce3 Ce 0.23729 0.75000 0.44798 1.00000
  Ce4 Ce 0.41352 0.75000 0.18437 1.00000
  Ce5 Ce 0.92908 0.75000 0.18540 1.00000
  Ce6 Ce 0.07092 0.25000 0.81460 1.00000
  Co1 Co 0.35343 0.75000 0.90236 1.00000
  Co2 Co 0.97071 0.25000 0.37242 1.00000
  Co3 Co 0.85126 0.75000 0.91361 1.00000
  Co4 Co 0.02929 0.75000 0.62758 1.00000
  Co5 Co 0.64657 0.25000 0.09764 1.00000
  Co6 Co 0.14874 0.25000 0.08639 1.00000
  Co7 Co 0.53457 0.75000 0.62789 1.00000
  Co8 Co 0.46543 0.25000 0.37211 1.00000
  Ge1 Ge 0.57422 0.75000 0.42627 1.00000
  Ge2 Ge 0.12767 0.75000 0.99664 1.00000
  Ge3 Ge 0.88903 0.75000 0.42666 1.00000
  Ge4 Ge 0.69626 0.25000 0.28421 1.00000
  Ge5 Ge 0.30374 0.75000 0.71579 1.00000
  Ge6 Ge 0.80641 0.75000 0.72547 1.00000
  Ge7 Ge 0.87233 0.25000 0.00336 1.00000
  Ge8 Ge 0.19359 0.25000 0.27453 1.00000
  Ge9 Ge 0.37716 0.25000 0.99651 1.00000
  Ge10 Ge 0.11097 0.25000 0.57334 1.00000
  Ge11 Ge 0.62284 0.75000 0.00349 1.00000
  Ge12 Ge 0.42578 0.25000 0.57373 1.00000

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