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Sm5Y5(Co2Ge5)4

Alexandria ALEX

Alex-ID: agm019019129 · Space group: Amm2 (#38)

Alexandria Database API

Basic Information

Formula
Sm5Y5(Co2Ge5)4
Alex-ID
agm019019129
Elements
4
Sites
38
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
699.32
ų
Cell a
12.8410
Å
Cell b
12.8410
Å
Cell c
4.2411
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm5Y5(Co2Ge5)4
Sm
5.00 · 13.2%
Y
5.00 · 13.2%
Co
8.00 · 21.1%
Ge
20.00 · 52.6%

Energy & Stability

Energy above hull
0.0255
eV/atom
Formation energy
-0.6397
eV/atom
Corrected total energy
-229.5790
eV
Raw total energy
-229.5790
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0036
eV
DOS at Fermi level
21.0254
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A5B5C8D20_1_spg38

Decomposition

Sm5Y5(Co2Ge5)4

Computed at

2025-03-11 04:14:06

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: agm019019129).

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 agm019019129
data_agm019019129
_cell_length_a     12.84100
_cell_length_b     12.84100
_cell_length_c     4.24112
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.05449
_cell_volume       699.32409
_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
  Sm1 Sm 0.82103 0.82103 0.00000 1.00000
  Sm2 Sm 0.17901 0.17901 0.00000 1.00000
  Sm3 Sm 0.67875 0.31992 0.00000 1.00000
  Sm4 Sm 0.31992 0.67875 0.00000 1.00000
  Sm5 Sm 0.60983 0.60983 0.00000 1.00000
  Y1 Y 0.38995 0.38995 0.00000 1.00000
  Y2 Y 0.89036 0.10946 0.00000 1.00000
  Y3 Y 0.10946 0.89036 0.00000 1.00000
  Y4 Y 0.49971 0.00039 0.50000 1.00000
  Y5 Y 0.00039 0.49971 0.50000 1.00000
  Co1 Co 0.47276 0.75726 0.50000 1.00000
  Co2 Co 0.52574 0.24310 0.50000 1.00000
  Co3 Co 0.02593 0.25606 0.50000 1.00000
  Co4 Co 0.97386 0.74369 0.50000 1.00000
  Co5 Co 0.25606 0.02593 0.50000 1.00000
  Co6 Co 0.74369 0.97386 0.50000 1.00000
  Co7 Co 0.75726 0.47276 0.50000 1.00000
  Co8 Co 0.24310 0.52574 0.50000 1.00000
  Ge1 Ge 0.93039 0.93039 0.50000 1.00000
  Ge2 Ge 0.06949 0.06949 0.50000 1.00000
  Ge3 Ge 0.56912 0.42949 0.50000 1.00000
  Ge4 Ge 0.42949 0.56912 0.50000 1.00000
  Ge5 Ge 0.30040 0.84739 0.50000 1.00000
  Ge6 Ge 0.69913 0.15231 0.50000 1.00000
  Ge7 Ge 0.19890 0.34705 0.50000 1.00000
  Ge8 Ge 0.80143 0.65226 0.50000 1.00000
  Ge9 Ge 0.34705 0.19890 0.50000 1.00000
  Ge10 Ge 0.65226 0.80143 0.50000 1.00000
  Ge11 Ge 0.84739 0.30040 0.50000 1.00000
  Ge12 Ge 0.15231 0.69913 0.50000 1.00000
  Ge13 Ge 0.49832 0.83346 0.00000 1.00000
  Ge14 Ge 0.49902 0.16715 0.00000 1.00000
  Ge15 Ge 0.00022 0.33257 0.00000 1.00000
  Ge16 Ge 0.99969 0.66712 0.00000 1.00000
  Ge17 Ge 0.33257 0.00022 0.00000 1.00000
  Ge18 Ge 0.66712 0.99969 0.00000 1.00000
  Ge19 Ge 0.83346 0.49832 0.00000 1.00000
  Ge20 Ge 0.16715 0.49902 0.00000 1.00000
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