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Co17Te15

Alexandria ALEX

Alex-ID: agm007754667 · Space group: Pm-3m (#221)

Alexandria Database API

Basic Information

Formula
Co17Te15
Alex-ID
agm007754667
Elements
2
Sites
64
Space group
Pm-3m (#221)
Crystal system
cubic
Volume
1,282.24
ų
Cell a
10.8640
Å
Cell b
10.8640
Å
Cell c
10.8640
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co17Te15
Co
34.00 · 53.1%
Te
30.00 · 46.9%

Energy & Stability

Energy above hull
0.2818
eV/atom
Formation energy
0.1446
eV/atom
Corrected total energy
-327.2063
eV
Raw total energy
-327.2063
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
65.0867
Total magnetisation
37.7348
μB

Additional Information

Prototype ID

A15B17_0_spg221

Decomposition

CoTe2 Co

Computed at

2024-05-28 17:01:52.405183

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: agm007754667).

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 agm007754667
data_agm007754667
_cell_length_a     10.86399
_cell_length_b     10.86399
_cell_length_c     10.86399
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       1282.23602
_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
  Co1 Co 0.67921 0.84006 0.15994 1.00000
  Co2 Co 0.84006 0.84006 0.32079 1.00000
  Co3 Co 0.84006 0.67921 0.15994 1.00000
  Co4 Co 0.67921 0.15994 0.84006 1.00000
  Co5 Co 0.84006 0.15994 0.67921 1.00000
  Co6 Co 0.84006 0.32079 0.84006 1.00000
  Co7 Co 0.32079 0.84006 0.84006 1.00000
  Co8 Co 0.15994 0.84006 0.67921 1.00000
  Co9 Co 0.15994 0.67921 0.84006 1.00000
  Co10 Co 0.32079 0.15994 0.15994 1.00000
  Co11 Co 0.15994 0.15994 0.32079 1.00000
  Co12 Co 0.15994 0.32079 0.15994 1.00000
  Co13 Co 0.32079 0.15994 0.84006 1.00000
  Co14 Co 0.15994 0.15994 0.67921 1.00000
  Co15 Co 0.15994 0.32079 0.84006 1.00000
  Co16 Co 0.32079 0.84006 0.15994 1.00000
  Co17 Co 0.15994 0.84006 0.32079 1.00000
  Co18 Co 0.15994 0.67921 0.15994 1.00000
  Co19 Co 0.67921 0.15994 0.15994 1.00000
  Co20 Co 0.84006 0.15994 0.32079 1.00000
  Co21 Co 0.84006 0.32079 0.15994 1.00000
  Co22 Co 0.67921 0.84006 0.84006 1.00000
  Co23 Co 0.84006 0.84006 0.67921 1.00000
  Co24 Co 0.84006 0.67921 0.84006 1.00000
  Co25 Co 0.77243 0.50000 0.50000 1.00000
  Co26 Co 0.50000 0.50000 0.22757 1.00000
  Co27 Co 0.50000 0.77243 0.50000 1.00000
  Co28 Co 0.50000 0.50000 0.77243 1.00000
  Co29 Co 0.50000 0.22757 0.50000 1.00000
  Co30 Co 0.22757 0.50000 0.50000 1.00000
  Co31 Co 0.00000 0.50000 0.50000 1.00000
  Co32 Co 0.50000 0.50000 0.00000 1.00000
  Co33 Co 0.50000 0.00000 0.50000 1.00000
  Co34 Co 0.00000 0.00000 0.00000 1.00000
  Te1 Te 0.00000 0.67030 0.32970 1.00000
  Te2 Te 0.67030 0.67030 0.00000 1.00000
  Te3 Te 0.67030 0.00000 0.32970 1.00000
  Te4 Te 0.00000 0.32970 0.67030 1.00000
  Te5 Te 0.67030 0.32970 0.00000 1.00000
  Te6 Te 0.67030 0.00000 0.67030 1.00000
  Te7 Te 0.00000 0.67030 0.67030 1.00000
  Te8 Te 0.32970 0.67030 0.00000 1.00000
  Te9 Te 0.32970 0.00000 0.67030 1.00000
  Te10 Te 0.00000 0.32970 0.32970 1.00000
  Te11 Te 0.32970 0.32970 0.00000 1.00000
  Te12 Te 0.32970 0.00000 0.32970 1.00000
  Te13 Te 0.50000 0.73275 0.26725 1.00000
  Te14 Te 0.73275 0.73275 0.50000 1.00000
  Te15 Te 0.73275 0.50000 0.26725 1.00000
  Te16 Te 0.50000 0.26725 0.73275 1.00000
  Te17 Te 0.73275 0.26725 0.50000 1.00000
  Te18 Te 0.73275 0.50000 0.73275 1.00000
  Te19 Te 0.50000 0.73275 0.73275 1.00000
  Te20 Te 0.26725 0.73275 0.50000 1.00000
  Te21 Te 0.26725 0.50000 0.73275 1.00000
  Te22 Te 0.50000 0.26725 0.26725 1.00000
  Te23 Te 0.26725 0.26725 0.50000 1.00000
  Te24 Te 0.26725 0.50000 0.26725 1.00000
  Te25 Te 0.76237 0.00000 0.00000 1.00000
  Te26 Te 0.00000 0.00000 0.23763 1.00000
  Te27 Te 0.00000 0.76237 0.00000 1.00000
  Te28 Te 0.00000 0.00000 0.76237 1.00000
  Te29 Te 0.00000 0.23763 0.00000 1.00000
  Te30 Te 0.23763 0.00000 0.00000 1.00000
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