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LaNdHoTm

Alexandria ALEX

Alex-ID: agm005178907 · Space group: Cm (#8)

Basic Information

Formula
LaNdHoTm
Alex-ID
agm005178907
Elements
4
Sites
4
Space group
Cm (#8)
Crystal system
monoclinic
Volume
134.49
ų
Cell a
3.8321
Å
Cell b
5.8961
Å
Cell c
6.9322
Å
α angle
115.17
°
β angle
73.37
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaNdHoTm
La
1.00 · 25.0%
Nd
1.00 · 25.0%
Ho
1.00 · 25.0%
Tm
1.00 · 25.0%

Energy & Stability

Energy above hull
0.1078
eV/atom
Formation energy
0.0996
eV/atom
Corrected total energy
-18.3513
eV
Raw total energy
-18.3513
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0395
eV
DOS at Fermi level
6.8419
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD_1541_spg44

Decomposition

La3Nd5 HoTm5 LaHo2

Computed at

2022-07-10 13:28:05.895339

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: agm005178907).

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 agm005178907
data_agm005178907
_cell_length_a     3.83210
_cell_length_b     5.89607
_cell_length_c     6.93220
_cell_angle_alpha  115.16754
_cell_angle_beta   73.37007
_cell_angle_gamma  90.00000
_cell_volume       134.48555
_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
  La1 La 0.39098 0.13498 0.26996 1.00000
  Nd1 Nd 0.68746 0.40347 0.80695 1.00000
  Ho1 Ho 0.19653 0.88043 0.76086 1.00000
  Tm1 Tm 0.91092 0.64577 0.29155 1.00000
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