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Ho2AgTe

Alexandria ALEX

Alex-ID: agm005757198 · Space group: Cmcm (#63)

Basic Information

Formula
Ho2AgTe
Alex-ID
agm005757198
Elements
3
Sites
8
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
215.13
ų
Cell a
4.4077
Å
Cell b
4.1220
Å
Cell c
12.0185
Å
α angle
99.87
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2AgTe
Ho
4.00 · 50.0%
Ag
2.00 · 25.0%
Te
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0242
eV/atom
Formation energy
-0.7772
eV/atom
Corrected total energy
-36.5178
eV
Raw total energy
-36.5178
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0380
eV
DOS at Fermi level
5.2024
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_434_spg63

Decomposition

HoAg HoTe

Computed at

2023-07-11 18:14:47.584951

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: agm005757198).

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 agm005757198
data_agm005757198
_cell_length_a     4.40775
_cell_length_b     4.12199
_cell_length_c     12.01854
_cell_angle_alpha  99.87419
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       215.12662
_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
  Ho1 Ho 0.75000 0.67099 0.34197 1.00000
  Ho2 Ho 0.25000 0.32901 0.65803 1.00000
  Ho3 Ho 0.75000 0.93587 0.87175 1.00000
  Ho4 Ho 0.25000 0.06413 0.12825 1.00000
  Ag1 Ag 0.25000 0.45882 0.91764 1.00000
  Ag2 Ag 0.75000 0.54118 0.08236 1.00000
  Te1 Te 0.25000 0.19569 0.39137 1.00000
  Te2 Te 0.75000 0.80431 0.60863 1.00000
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