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LaHoTm

Alexandria ALEX

Alex-ID: agm003601643 · Space group: Cmcm (#63)

Alexandria Database API

Basic Information

Formula
LaHoTm
Alex-ID
agm003601643
Elements
3
Sites
6
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
196.61
ų
Cell a
3.5363
Å
Cell b
5.4531
Å
Cell c
10.3483
Å
α angle
90.00
°
β angle
99.85
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaHoTm
La
2.00 · 33.3%
Ho
2.00 · 33.3%
Tm
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0425
eV/atom
Formation energy
0.0348
eV/atom
Corrected total energy
-27.7464
eV
Raw total energy
-27.7464
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.8819
Total magnetisation
-0.0006
μB

Additional Information

Prototype ID

ABC_684_spg38

Decomposition

LaHoTm

Computed at

2022-03-15 12:25:02.153622

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: agm003601643).

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 agm003601643
data_agm003601643
_cell_length_a     3.53632
_cell_length_b     5.45309
_cell_length_c     10.34834
_cell_angle_alpha  90.00015
_cell_angle_beta   99.85447
_cell_angle_gamma  90.00014
_cell_volume       196.61163
_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 0.20581 0.25000 0.91107 1.00000
  La2 La 0.79419 0.75000 0.08893 1.00000
  Ho1 Ho 0.38894 0.25001 0.27886 1.00000
  Ho2 Ho 0.61106 0.74999 0.72114 1.00000
  Tm1 Tm 0.04064 0.25000 0.57964 1.00000
  Tm2 Tm 0.95936 0.75000 0.42036 1.00000
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