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Sr2HoTe3

Alexandria ALEX

Alex-ID: agm005758716 · Space group: C2/m (#12)

Basic Information

Formula
Sr2HoTe3
Alex-ID
agm005758716
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
409.29
ų
Cell a
7.9169
Å
Cell b
7.9169
Å
Cell c
7.9895
Å
α angle
99.53
°
β angle
99.53
°
γ angle
119.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2HoTe3
Sr
4.00 · 33.3%
Ho
2.00 · 16.7%
Te
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0410
eV/atom
Formation energy
-1.5471
eV/atom
Corrected total energy
-53.3298
eV
Raw total energy
-53.3298
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0116
eV
DOS at Fermi level
3.1727
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_5_spg15

Decomposition

HoTe SrTe

Computed at

2023-08-25 02:14:08.682266

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: agm005758716).

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 agm005758716
data_agm005758716
_cell_length_a     7.91688
_cell_length_b     7.91688
_cell_length_c     7.98951
_cell_angle_alpha  99.52586
_cell_angle_beta   99.52587
_cell_angle_gamma  119.98654
_cell_volume       409.29228
_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
  Sr1 Sr 0.83335 0.16665 0.50000 1.00000
  Sr2 Sr 0.33333 0.66667 0.00000 1.00000
  Sr3 Sr 0.17150 0.82850 0.50000 1.00000
  Sr4 Sr 0.49518 0.50482 0.50000 1.00000
  Ho1 Ho 0.00107 0.99893 1.00000 1.00000
  Ho2 Ho 0.66559 0.33441 1.00000 1.00000
  Te1 Te 0.60294 0.93628 0.76873 1.00000
  Te2 Te 0.06372 0.39706 0.23127 1.00000
  Te3 Te 0.90793 0.58771 0.76441 1.00000
  Te4 Te 0.25438 0.24126 0.76440 1.00000
  Te5 Te 0.41229 0.09207 0.23559 1.00000
  Te6 Te 0.75874 0.74562 0.23560 1.00000
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