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Ho3(GaPb)2

Alexandria ALEX

Alex-ID: agm005557442 · Space group: C2/m (#12)

Basic Information

Formula
Ho3(GaPb)2
Alex-ID
agm005557442
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
178.71
ų
Cell a
4.3686
Å
Cell b
6.0629
Å
Cell c
7.8236
Å
α angle
110.83
°
β angle
90.00
°
γ angle
111.12
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3(GaPb)2
Ho
3.00 · 42.9%
Ga
2.00 · 28.6%
Pb
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0584
eV/atom
Formation energy
-0.4901
eV/atom
Corrected total energy
-30.6418
eV
Raw total energy
-30.6418
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.7933
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_34_spg12

Decomposition

Ho3Ga5 HoPb2 HoPb

Computed at

2023-06-06 18:59:09.320465

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: agm005557442).

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 agm005557442
data_agm005557442
_cell_length_a     4.36855
_cell_length_b     6.06287
_cell_length_c     7.82359
_cell_angle_alpha  110.82639
_cell_angle_beta   90.00000
_cell_angle_gamma  111.11684
_cell_volume       178.71030
_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 0.32841 0.65682 0.35935 1.00000
  Ho2 Ho 0.67159 0.34318 0.64065 1.00000
  Ho3 Ho 0.50000 0.00000 0.00000 1.00000
  Ga1 Ga 0.78682 0.57364 0.08397 1.00000
  Ga2 Ga 0.21318 0.42636 0.91603 1.00000
  Pb1 Pb 0.95342 0.90685 0.67650 1.00000
  Pb2 Pb 0.04658 0.09315 0.32350 1.00000
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