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Tm8CoH4

Alexandria ALEX

Alex-ID: agm097769588 · Space group: P1 (#1)

Basic Information

Formula
Tm8CoH4
Alex-ID
agm097769588
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
266.79
ų
Cell a
3.6650
Å
Cell b
10.1031
Å
Cell c
8.7833
Å
α angle
55.15
°
β angle
88.52
°
γ angle
88.64
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm8CoH4
Tm
8.00 · 61.5%
Co
1.00 · 7.7%
H
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1419
eV/atom
Formation energy
-0.2821
eV/atom
Corrected total energy
-59.5226
eV
Raw total energy
-59.5226
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.8151
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1335_spg6

Decomposition

Tm3Co Tm TmH2

Computed at

2025-06-15 14:46:42

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: agm097769588).

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 agm097769588
data_agm097769588
_cell_length_a     3.66498
_cell_length_b     10.10314
_cell_length_c     8.78335
_cell_angle_alpha  55.14829
_cell_angle_beta   88.51654
_cell_angle_gamma  88.63958
_cell_volume       266.78745
_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
  Tm1 Tm 0.85362 0.33050 0.15977 1.00000
  Tm2 Tm 0.80491 0.83046 0.15726 1.00000
  Tm3 Tm 0.84901 0.57374 0.65450 1.00000
  Tm4 Tm 0.81561 0.09332 0.64813 1.00000
  Tm5 Tm 0.33585 0.96733 0.41256 1.00000
  Tm6 Tm 0.31998 0.46323 0.41170 1.00000
  Tm7 Tm 0.40193 0.21723 0.91579 1.00000
  Tm8 Tm 0.34815 0.70308 0.90174 1.00000
  Co1 Co 0.30079 0.96489 0.90242 1.00000
  H1 H 0.95211 0.07700 0.90689 1.00000
  H2 H 0.88958 0.33340 0.90993 1.00000
  H3 H 0.79831 0.36167 0.61252 1.00000
  H4 H 0.83015 0.08414 0.40679 1.00000
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