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Ho2Tm3Pb4

Alexandria ALEX

Alex-ID: agm005685657 · Space group: C2/m (#12)

Basic Information

Formula
Ho2Tm3Pb4
Alex-ID
agm005685657
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
259.62
ų
Cell a
4.8956
Å
Cell b
6.7721
Å
Cell c
8.4765
Å
α angle
104.57
°
β angle
106.78
°
γ angle
89.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Tm3Pb4
Ho
2.00 · 22.2%
Tm
3.00 · 33.3%
Pb
4.00 · 44.4%

Energy & Stability

Energy above hull
0.1243
eV/atom
Formation energy
-0.3834
eV/atom
Corrected total energy
-40.8557
eV
Raw total energy
-40.8557
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.6118
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_899_spg2

Decomposition

Ho2Tm3Pb4

Computed at

2023-06-30 19:58:54.368547

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: agm005685657).

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 agm005685657
data_agm005685657
_cell_length_a     4.89564
_cell_length_b     6.77212
_cell_length_c     8.47651
_cell_angle_alpha  104.56586
_cell_angle_beta   106.78222
_cell_angle_gamma  89.97805
_cell_volume       259.61961
_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
  Ho1 Ho 0.67016 0.06431 0.34038 1.00000
  Ho2 Ho 0.32984 0.93569 0.65962 1.00000
  Tm1 Tm 0.11257 0.59039 0.22508 1.00000
  Tm2 Tm 0.88743 0.40961 0.77492 1.00000
  Tm3 Tm 0.00000 0.00000 0.00000 1.00000
  Pb1 Pb 0.48922 0.71725 0.97843 1.00000
  Pb2 Pb 0.24746 0.31609 0.49503 1.00000
  Pb3 Pb 0.51078 0.28275 0.02157 1.00000
  Pb4 Pb 0.75254 0.68391 0.50497 1.00000
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