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Sr4HoTe5

Alexandria ALEX

Alex-ID: agm006100982 · Space group: I4/m (#87)

Basic Information

Formula
Sr4HoTe5
Alex-ID
agm006100982
Elements
3
Sites
10
Space group
I4/m (#87)
Crystal system
tetragonal
Volume
354.69
ų
Cell a
6.5748
Å
Cell b
8.0470
Å
Cell c
8.0470
Å
α angle
80.39
°
β angle
65.89
°
γ angle
65.89
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4HoTe5
Sr
4.00 · 40.0%
Ho
1.00 · 10.0%
Te
5.00 · 50.0%

Energy & Stability

Energy above hull
0.0411
eV/atom
Formation energy
-1.6091
eV/atom
Corrected total energy
-43.1359
eV
Raw total energy
-43.1359
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.0859
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C5_149_spg79

Decomposition

HoTe SrTe

Computed at

2023-10-18 04:12:41

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: agm006100982).

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 agm006100982
data_agm006100982
_cell_length_a     6.57481
_cell_length_b     8.04697
_cell_length_c     8.04697
_cell_angle_alpha  80.39272
_cell_angle_beta   65.88769
_cell_angle_gamma  65.88768
_cell_volume       354.68967
_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 0.40598 0.39599 0.79393 1.00000
  Sr2 Sr 0.80197 0.79393 0.60401 1.00000
  Sr3 Sr 0.19991 0.20607 0.39599 1.00000
  Sr4 Sr 0.59591 0.60401 0.20607 1.00000
  Ho1 Ho 0.00131 1.00000 1.00000 1.00000
  Te1 Te 0.90500 0.38155 0.81051 1.00000
  Te2 Te 0.28655 0.81051 0.61845 1.00000
  Te3 Te 0.71551 0.18949 0.38155 1.00000
  Te4 Te 0.09706 0.61845 0.18949 1.00000
  Te5 Te 0.50109 1.00000 1.00000 1.00000
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