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Sr2TeH7

Alexandria ALEX

Alex-ID: agm006200112 · Space group: P-1 (#2)

Basic Information

Formula
Sr2TeH7
Alex-ID
agm006200112
Elements
3
Sites
10
Space group
P-1 (#2)
Crystal system
triclinic
Volume
191.10
ų
Cell a
4.5138
Å
Cell b
7.3142
Å
Cell c
7.1560
Å
α angle
109.28
°
β angle
60.49
°
γ angle
107.81
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2TeH7
H
7.00 · 70.0%
Te
1.00 · 10.0%
Sr
2.00 · 20.0%

Energy & Stability

Energy above hull
0.2105
eV/atom
Formation energy
-0.3401
eV/atom
Corrected total energy
-32.6003
eV
Raw total energy
-32.6003
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.9070
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C7_1306_spg2

Decomposition

SrH10 SrTe SrH2

Computed at

2023-12-12 12:57:46

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: agm006200112).

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 agm006200112
data_agm006200112
_cell_length_a     4.51376
_cell_length_b     7.31423
_cell_length_c     7.15597
_cell_angle_alpha  109.27589
_cell_angle_beta   60.49038
_cell_angle_gamma  107.80985
_cell_volume       191.10363
_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
  H1 H 0.06109 0.07368 0.33339 1.00000
  H2 H 0.88546 0.63798 0.66001 1.00000
  H3 H 0.72504 0.56075 0.66647 1.00000
  H4 H 0.79664 0.96668 0.97582 1.00000
  H5 H 0.47323 0.85571 0.49696 1.00000
  H6 H 0.22165 0.15084 0.32680 1.00000
  H7 H 0.14970 0.74469 0.01804 1.00000
  Te1 Te 0.97327 0.35571 0.99680 1.00000
  Sr1 Sr 0.43206 0.02369 0.83757 1.00000
  Sr2 Sr 0.51424 0.68766 0.15630 1.00000
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