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La2Ho2Tm7

Alexandria ALEX

Alex-ID: agm005569080 · Space group: C2/m (#12)

Basic Information

Formula
La2Ho2Tm7
Alex-ID
agm005569080
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
356.58
ų
Cell a
8.0227
Å
Cell b
10.3341
Å
Cell c
8.0227
Å
α angle
126.10
°
β angle
88.55
°
γ angle
53.90
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Ho2Tm7
La
2.00 · 18.2%
Ho
2.00 · 18.2%
Tm
7.00 · 63.6%

Energy & Stability

Energy above hull
0.1656
eV/atom
Formation energy
0.1571
eV/atom
Corrected total energy
-48.5844
eV
Raw total energy
-48.5844
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
18.6551
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C7_236_spg12

Decomposition

HoTm5 LaHoTm LaTm2

Computed at

2023-06-04 17:29:25.839918

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: agm005569080).

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 agm005569080
data_agm005569080
_cell_length_a     8.02267
_cell_length_b     10.33405
_cell_length_c     8.02267
_cell_angle_alpha  126.10114
_cell_angle_beta   88.54716
_cell_angle_gamma  53.89885
_cell_volume       356.58209
_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 0.21081 0.69038 0.78919 1.00000
  La2 La 0.78919 0.30962 0.21081 1.00000
  Ho1 Ho 0.70974 0.00000 0.70974 1.00000
  Ho2 Ho 0.29026 1.00000 0.29026 1.00000
  Tm1 Tm 0.23149 0.68071 0.24587 1.00000
  Tm2 Tm 0.75413 0.68071 0.76851 1.00000
  Tm3 Tm 0.65407 0.07361 0.34593 1.00000
  Tm4 Tm 0.00000 0.50000 0.00000 1.00000
  Tm5 Tm 0.34593 0.92639 0.65407 1.00000
  Tm6 Tm 0.76851 0.31929 0.75413 1.00000
  Tm7 Tm 0.24587 0.31929 0.23149 1.00000
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