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LaHo2(ErTm)2

Alexandria ALEX

Alex-ID: agm016540277 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
LaHo2(ErTm)2
Alex-ID
agm016540277
Elements
4
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
221.30
ų
Cell a
3.5930
Å
Cell b
3.5930
Å
Cell c
19.9016
Å
α angle
84.83
°
β angle
95.17
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaHo2(ErTm)2
La
1.00 · 14.3%
Ho
2.00 · 28.6%
Er
2.00 · 28.6%
Tm
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0111
eV/atom
Formation energy
0.0020
eV/atom
Corrected total energy
-32.1395
eV
Raw total energy
-32.1395
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.0328
Total magnetisation
0.0058
μB

Additional Information

Prototype ID

AB2C2D2_138_spg164

Decomposition

Er2Tm LaHo2 ErTm2

Computed at

2025-04-22 18:39:12

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: agm016540277).

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 agm016540277
data_agm016540277
_cell_length_a     3.59299
_cell_length_b     3.59299
_cell_length_c     19.90161
_cell_angle_alpha  84.82657
_cell_angle_beta   95.17343
_cell_angle_gamma  119.99623
_cell_volume       221.29949
_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 0.48517 0.51483 0.49655 1.00000
  Ho1 Ho 0.58110 0.41890 0.78644 1.00000
  Ho2 Ho 0.38993 0.61007 0.20660 1.00000
  Er1 Er 0.76992 0.23008 0.34812 1.00000
  Er2 Er 0.20081 0.79919 0.64494 1.00000
  Tm1 Tm 0.67553 0.32447 0.06594 1.00000
  Tm2 Tm 0.29563 0.70437 0.92707 1.00000
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