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La8Ho2Tm3

Alexandria ALEX

Alex-ID: agm005608137 · Space group: C2/m (#12)

Basic Information

Formula
La8Ho2Tm3
Alex-ID
agm005608137
Elements
3
Sites
13
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
454.24
ų
Cell a
6.1336
Å
Cell b
11.7773
Å
Cell c
9.0098
Å
α angle
130.81
°
β angle
72.98
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La8Ho2Tm3
La
8.00 · 61.5%
Ho
2.00 · 15.4%
Tm
3.00 · 23.1%

Energy & Stability

Energy above hull
0.1457
eV/atom
Formation energy
0.1407
eV/atom
Corrected total energy
-60.1619
eV
Raw total energy
-60.1619
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
20.7184
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C8_237_spg12

Decomposition

LaHoTm La7Tm LaTm2

Computed at

2023-06-16 00:09:55.272483

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: agm005608137).

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 agm005608137
data_agm005608137
_cell_length_a     6.13361
_cell_length_b     11.77725
_cell_length_c     9.00977
_cell_angle_alpha  130.81226
_cell_angle_beta   72.97586
_cell_angle_gamma  89.99998
_cell_volume       454.24320
_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 0.73559 0.41417 0.82834 1.00000
  La2 La 0.26441 0.58583 0.17166 1.00000
  La3 La 0.11655 0.86164 0.72329 1.00000
  La4 La 0.88345 0.13836 0.27671 1.00000
  La5 La 0.35293 0.92281 0.32027 1.00000
  La6 La 0.35293 0.39745 0.32027 1.00000
  La7 La 0.64707 0.60255 0.67973 1.00000
  La8 La 0.64707 0.07719 0.67973 1.00000
  Ho1 Ho 0.68341 0.68496 0.36991 1.00000
  Ho2 Ho 0.31659 0.31504 0.63009 1.00000
  Tm1 Tm 0.50000 0.00000 0.00000 1.00000
  Tm2 Tm 0.00000 0.27295 1.00000 1.00000
  Tm3 Tm 1.00000 0.72705 0.00000 1.00000
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