Navigation

HEAS Data Platform · Materials Science Database

Ho2Tm5Tc2Ag

Alexandria ALEX

Alex-ID: agm005139943 · Space group: P4/mbm (#127)

Basic Information

Formula
Ho2Tm5Tc2Ag
Alex-ID
agm005139943
Elements
4
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
506.75
ų
Cell a
3.9413
Å
Cell b
11.3391
Å
Cell c
11.3391
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Tm5Tc2Ag
Ho
4.00 · 20.0%
Tm
10.00 · 50.0%
Tc
4.00 · 20.0%
Ag
2.00 · 10.0%

Energy & Stability

Energy above hull
0.0568
eV/atom
Formation energy
-0.1289
eV/atom
Corrected total energy
-112.7732
eV
Raw total energy
-112.7732
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.1270
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D5_48_spg127

Decomposition

HoTm2Tc Ho5TmAg6 Tm3Tc

Computed at

2022-07-15 05:38:11.469523

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: agm005139943).

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 agm005139943
data_agm005139943
_cell_length_a     3.94131
_cell_length_b     11.33908
_cell_length_c     11.33908
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       506.75299
_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 0.00000 0.67444 0.17444 1.00000
  Ho2 Ho 0.00000 0.32556 0.82556 1.00000
  Ho3 Ho 0.00000 0.17444 0.32556 1.00000
  Ho4 Ho 0.00000 0.82556 0.67444 1.00000
  Tm1 Tm 0.50000 0.20876 0.07068 1.00000
  Tm2 Tm 0.50000 0.79124 0.92932 1.00000
  Tm3 Tm 0.50000 0.07068 0.79124 1.00000
  Tm4 Tm 0.50000 0.70876 0.42932 1.00000
  Tm5 Tm 0.50000 0.92932 0.20876 1.00000
  Tm6 Tm 0.50000 0.29124 0.57068 1.00000
  Tm7 Tm 0.50000 0.57068 0.70876 1.00000
  Tm8 Tm 0.50000 0.42932 0.29124 1.00000
  Tm9 Tm 0.50000 0.50000 0.00000 1.00000
  Tm10 Tm 0.50000 0.00000 0.50000 1.00000
  Tc1 Tc 0.00000 0.12651 0.62651 1.00000
  Tc2 Tc 0.00000 0.87349 0.37349 1.00000
  Tc3 Tc 0.00000 0.62651 0.87349 1.00000
  Tc4 Tc 0.00000 0.37349 0.12651 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
  Ag2 Ag 0.00000 0.50000 0.50000 1.00000
Get direct link