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Ho5Tm5Pb6

Alexandria ALEX

Alex-ID: agm017009714 · Space group: Amm2 (#38)

Alexandria Database API

Basic Information

Formula
Ho5Tm5Pb6
Alex-ID
agm017009714
Elements
3
Sites
16
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
457.45
ų
Cell a
8.9804
Å
Cell b
8.9804
Å
Cell c
6.5465
Å
α angle
90.00
°
β angle
90.00
°
γ angle
119.95
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5Tm5Pb6
Ho
5.00 · 31.3%
Tm
5.00 · 31.3%
Pb
6.00 · 37.5%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5183
eV/atom
Corrected total energy
-75.7936
eV
Raw total energy
-75.7936
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0018
eV
DOS at Fermi level
8.3965
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B5C6_5_spg38

Decomposition

Ho5Tm5Pb6

Computed at

2025-01-02 13:43:38

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: agm017009714).

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 agm017009714
data_agm017009714
_cell_length_a     8.98040
_cell_length_b     8.98040
_cell_length_c     6.54650
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  119.95158
_cell_volume       457.44882
_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 0.23627 0.00011 0.50000 1.00000
  Ho2 Ho 0.00011 0.23627 0.50000 1.00000
  Ho3 Ho 0.23720 0.23720 0.00000 1.00000
  Ho4 Ho 0.76392 0.99985 0.00000 1.00000
  Ho5 Ho 0.99985 0.76392 0.00000 1.00000
  Tm1 Tm 0.66678 0.33325 0.74995 1.00000
  Tm2 Tm 0.33325 0.66678 0.74995 1.00000
  Tm3 Tm 0.33325 0.66678 0.25005 1.00000
  Tm4 Tm 0.66678 0.33325 0.25005 1.00000
  Tm5 Tm 0.76393 0.76393 0.50000 1.00000
  Pb1 Pb 0.39616 0.39616 0.50000 1.00000
  Pb2 Pb 0.60495 0.99938 0.50000 1.00000
  Pb3 Pb 0.99938 0.60495 0.50000 1.00000
  Pb4 Pb 0.60457 0.60457 0.00000 1.00000
  Pb5 Pb 0.39553 0.00004 0.00000 1.00000
  Pb6 Pb 0.00004 0.39553 0.00000 1.00000
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