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Ce2Ho4Tm5

Alexandria ALEX

Alex-ID: agm003361237 · Space group: Immm (#71)

Basic Information

Formula
Ce2Ho4Tm5
Alex-ID
agm003361237
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
359.54
ų
Cell a
3.4289
Å
Cell b
7.5900
Å
Cell c
14.4289
Å
α angle
105.25
°
β angle
96.82
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Ho4Tm5
Ce
2.00 · 18.2%
Ho
4.00 · 36.4%
Tm
5.00 · 45.5%

Energy & Stability

Energy above hull
0.4441
eV/atom
Formation energy
0.4384
eV/atom
Corrected total energy
-47.7175
eV
Raw total energy
-47.7175
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0007
eV
DOS at Fermi level
25.2095
Total magnetisation
3.1720
μB

Additional Information

Prototype ID

A2B4C5_185_spg71

Decomposition

HoTm2 Ho7Tm2 Ce

Computed at

2022-02-05 01:48:22.368233

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: agm003361237).

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 agm003361237
data_agm003361237
_cell_length_a     3.42893
_cell_length_b     7.58998
_cell_length_c     14.42886
_cell_angle_alpha  105.24897
_cell_angle_beta   96.82412
_cell_angle_gamma  90.00000
_cell_volume       359.53911
_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 0.89729 0.89729 0.79459 1.00000
  Ce2 Ce 0.10271 0.10271 0.20541 1.00000
  Ho1 Ho 0.00000 0.31861 0.00000 1.00000
  Ho2 Ho 0.60376 0.60376 0.20752 1.00000
  Ho3 Ho 1.00000 0.68139 1.00000 1.00000
  Ho4 Ho 0.39624 0.39624 0.79248 1.00000
  Tm1 Tm 0.80355 0.06102 0.60710 1.00000
  Tm2 Tm 0.80355 0.54608 0.60710 1.00000
  Tm3 Tm 0.19645 0.45392 0.39290 1.00000
  Tm4 Tm 0.19645 0.93898 0.39290 1.00000
  Tm5 Tm 0.50000 0.00000 0.00000 1.00000
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