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Ce2(HoTm3)3

Alexandria ALEX

Alex-ID: agm012124512 · Space group: C2/m (#12)

Basic Information

Formula
Ce2(HoTm3)3
Alex-ID
agm012124512
Elements
3
Sites
14
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
425.00
ų
Cell a
9.2591
Å
Cell b
9.2591
Å
Cell c
11.0691
Å
α angle
61.44
°
β angle
61.44
°
γ angle
31.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2(HoTm3)3
Ce
2.00 · 14.3%
Ho
3.00 · 21.4%
Tm
9.00 · 64.3%

Energy & Stability

Energy above hull
0.0618
eV/atom
Formation energy
0.0541
eV/atom
Corrected total energy
-65.0899
eV
Raw total energy
-65.0899
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0022
eV
DOS at Fermi level
25.3666
Total magnetisation
2.1772
μB

Additional Information

Prototype ID

A2B3C9_184_spg44

Decomposition

HoTm2 HoTm5 Ce

Computed at

2024-06-29 04:44:31.355076

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: agm012124512).

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 agm012124512
data_agm012124512
_cell_length_a     9.25906
_cell_length_b     9.25906
_cell_length_c     11.06907
_cell_angle_alpha  61.44226
_cell_angle_beta   61.44226
_cell_angle_gamma  31.05323
_cell_volume       425.00436
_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 0.85775 0.85775 0.21340 1.00000
  Ce2 Ce 0.14225 0.14225 0.78660 1.00000
  Ho1 Ho 0.50000 0.50000 0.00000 1.00000
  Ho2 Ho 0.92937 0.92937 0.85721 1.00000
  Ho3 Ho 0.07063 0.07063 0.14279 1.00000
  Tm1 Tm 0.78544 0.78544 0.57197 1.00000
  Tm2 Tm 0.42782 0.42782 0.35837 1.00000
  Tm3 Tm 0.57218 0.57218 0.64163 1.00000
  Tm4 Tm 0.71550 0.71550 0.92651 1.00000
  Tm5 Tm 0.28450 0.28450 0.07349 1.00000
  Tm6 Tm 0.21456 0.21456 0.42803 1.00000
  Tm7 Tm 0.00000 0.00000 0.50000 1.00000
  Tm8 Tm 0.64338 0.64338 0.28625 1.00000
  Tm9 Tm 0.35662 0.35662 0.71375 1.00000
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