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Ac(HoPb2)4

Alexandria ALEX

Alex-ID: agm098022639 · Space group: Amm2 (#38)

Basic Information

Formula
Ac(HoPb2)4
Alex-ID
agm098022639
Elements
3
Sites
13
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
403.50
ų
Cell a
4.6271
Å
Cell b
10.5461
Å
Cell c
10.5460
Å
α angle
128.36
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac(HoPb2)4
Ac
1.00 · 7.7%
Ho
4.00 · 30.8%
Pb
8.00 · 61.5%

Energy & Stability

Energy above hull
0.1456
eV/atom
Formation energy
-0.2848
eV/atom
Corrected total energy
-55.7922
eV
Raw total energy
-55.7922
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.6571
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_2199_spg1

Decomposition

HoPb HoPb2 AcPb3

Computed at

2025-06-16 03:52:31

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: agm098022639).

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 agm098022639
data_agm098022639
_cell_length_a     4.62708
_cell_length_b     10.54608
_cell_length_c     10.54600
_cell_angle_alpha  128.36496
_cell_angle_beta   89.99820
_cell_angle_gamma  90.00120
_cell_volume       403.49944
_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
  Ac1 Ac 0.69237 0.86457 0.86457 1.00000
  Ho1 Ho 0.19228 0.19617 0.19616 1.00000
  Ho2 Ho 0.19225 0.11390 0.54471 1.00000
  Ho3 Ho 0.19231 0.54473 0.11392 1.00000
  Ho4 Ho 0.69230 0.47601 0.47601 1.00000
  Pb1 Pb 0.69227 0.10753 0.33326 1.00000
  Pb2 Pb 0.19236 0.11096 0.83906 1.00000
  Pb3 Pb 0.69230 0.81138 0.37998 1.00000
  Pb4 Pb 0.19232 0.51655 0.70590 1.00000
  Pb5 Pb 0.69232 0.33327 0.10754 1.00000
  Pb6 Pb 0.69230 0.37996 0.81137 1.00000
  Pb7 Pb 0.19229 0.83907 0.11095 1.00000
  Pb8 Pb 0.19232 0.70589 0.51657 1.00000
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