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Ho6Tm8F

Alexandria ALEX

Alex-ID: agm072889264 · Space group: P1 (#1)

Basic Information

Formula
Ho6Tm8F
Alex-ID
agm072889264
Elements
3
Sites
15
Space group
P1 (#1)
Crystal system
triclinic
Volume
439.77
ų
Cell a
6.1360
Å
Cell b
7.9192
Å
Cell c
9.3695
Å
α angle
85.20
°
β angle
77.35
°
γ angle
82.55
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Tm8F
Ho
6.00 · 40.0%
Tm
8.00 · 53.3%
F
1.00 · 6.7%

Energy & Stability

Energy above hull
0.0777
eV/atom
Formation energy
-0.3307
eV/atom
Corrected total energy
-69.6249
eV
Raw total energy
-69.6248
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.5889
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_1205_spg1

Decomposition

Ho7Tm2 TmF3 HoTm2

Computed at

2024-10-06 04:05:37.997194

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: agm072889264).

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 agm072889264
data_agm072889264
_cell_length_a     6.13605
_cell_length_b     7.91923
_cell_length_c     9.36950
_cell_angle_alpha  85.20095
_cell_angle_beta   77.35450
_cell_angle_gamma  82.54661
_cell_volume       439.77387
_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 0.95536 0.57618 0.81573 1.00000
  Ho2 Ho 0.09632 0.29323 0.53224 1.00000
  Ho3 Ho 0.66791 0.14861 0.39142 1.00000
  Ho4 Ho 0.02405 0.43242 0.17514 1.00000
  Ho5 Ho 0.88014 0.71890 0.46230 1.00000
  Ho6 Ho 0.31303 0.86117 0.60343 1.00000
  Tm1 Tm 0.73949 0.00602 0.74472 1.00000
  Tm2 Tm 0.24010 0.00849 0.25305 1.00000
  Tm3 Tm 0.79952 0.85773 0.10621 1.00000
  Tm4 Tm 0.52875 0.43337 0.67247 1.00000
  Tm5 Tm 0.38847 0.71163 0.95651 1.00000
  Tm6 Tm 0.16993 0.15427 0.88453 1.00000
  Tm7 Tm 0.45305 0.57428 0.31974 1.00000
  Tm8 Tm 0.59580 0.29116 0.03229 1.00000
  F1 F 0.14809 0.93254 0.05021 1.00000
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