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YInTe4

Alexandria ALEX

Alex-ID: agm005443316 · Space group: F-43m (#216)

Alexandria Database API

Basic Information

Formula
YInTe4
Alex-ID
agm005443316
Elements
3
Sites
6
Space group
F-43m (#216)
Crystal system
cubic
Volume
184.70
ų
Cell a
6.3923
Å
Cell b
6.3923
Å
Cell c
6.3923
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
YInTe4
Y
1.00 · 16.7%
In
1.00 · 16.7%
Te
4.00 · 66.7%

Energy & Stability

Energy above hull
0.8118
eV/atom
Formation energy
0.0754
eV/atom
Corrected total energy
-21.3472
eV
Raw total energy
-21.3472
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
5.5048
Total magnetisation
0.0005
μB

Additional Information

Prototype ID

ABC4_12_spg216

Decomposition

YTe3 In7Te10 Y2Te3

Computed at

2023-03-22 22:26:37.507448

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: agm005443316).

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 agm005443316
data_agm005443316
_cell_length_a     6.39234
_cell_length_b     6.39234
_cell_length_c     6.39234
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       184.69895
_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
  Y1 Y 0.75000 0.75000 0.75000 1.00000
  In1 In 0.00000 0.00000 0.00000 1.00000
  Te1 Te 0.87327 0.37558 0.37558 1.00000
  Te2 Te 0.37558 0.37558 0.87327 1.00000
  Te3 Te 0.37558 0.87327 0.37558 1.00000
  Te4 Te 0.37558 0.37558 0.37558 1.00000
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