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CeHoTm4

Alexandria ALEX

Alex-ID: agm005753711 · Space group: C2/m (#12)

Basic Information

Formula
CeHoTm4
Alex-ID
agm005753711
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
361.81
ų
Cell a
3.5210
Å
Cell b
6.0982
Å
Cell c
16.9702
Å
α angle
96.82
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeHoTm4
Ce
2.00 · 16.7%
Ho
2.00 · 16.7%
Tm
8.00 · 66.7%

Energy & Stability

Energy above hull
0.0275
eV/atom
Formation energy
0.0196
eV/atom
Corrected total energy
-56.5613
eV
Raw total energy
-56.5613
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
20.5186
Total magnetisation
1.5660
μB

Additional Information

Prototype ID

ABC4_2187_spg12

Decomposition

HoTm2 HoTm5 Ce

Computed at

2023-07-27 22:22:56.988877

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: agm005753711).

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 agm005753711
data_agm005753711
_cell_length_a     3.52105
_cell_length_b     6.09818
_cell_length_c     16.97017
_cell_angle_alpha  96.81833
_cell_angle_beta   90.00002
_cell_angle_gamma  90.00002
_cell_volume       361.80613
_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
  Ce1 Ce 0.50000 0.00000 0.50000 1.00000
  Ce2 Ce 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.00000 0.50000 0.50000 1.00000
  Ho2 Ho 0.50000 0.50000 0.00000 1.00000
  Tm1 Tm 0.50109 0.61298 0.33238 1.00000
  Tm2 Tm 0.00109 0.38702 0.16762 1.00000
  Tm3 Tm 0.49891 0.38702 0.66762 1.00000
  Tm4 Tm 0.99891 0.61298 0.83238 1.00000
  Tm5 Tm 0.00113 0.10874 0.33347 1.00000
  Tm6 Tm 0.50113 0.89126 0.16653 1.00000
  Tm7 Tm 0.99887 0.89126 0.66653 1.00000
  Tm8 Tm 0.49887 0.10874 0.83347 1.00000
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