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Pr2HoTm2

Alexandria ALEX

Alex-ID: agm014169979 · Space group: Immm (#71)

Basic Information

Formula
Pr2HoTm2
Alex-ID
agm014169979
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
162.80
ų
Cell a
9.5049
Å
Cell b
9.5049
Å
Cell c
9.5049
Å
α angle
158.15
°
β angle
149.32
°
γ angle
37.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pr2HoTm2
Pr
2.00 · 40.0%
Ho
1.00 · 20.0%
Tm
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0301
eV/atom
Formation energy
0.0250
eV/atom
Corrected total energy
-22.9642
eV
Raw total energy
-22.9642
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.1609
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_27_spg139

Decomposition

Pr2Ho7 HoTm5 Pr

Computed at

2025-04-16 17:19:19

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: agm014169979).

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 agm014169979
data_agm014169979
_cell_length_a     9.50487
_cell_length_b     9.50487
_cell_length_c     9.50487
_cell_angle_alpha  158.15257
_cell_angle_beta   149.32464
_cell_angle_gamma  37.97775
_cell_volume       162.79769
_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
  Pr1 Pr 0.10102 0.60102 0.50000 1.00000
  Pr2 Pr 0.89898 0.39898 0.50000 1.00000
  Ho1 Ho 0.50000 0.00000 0.50000 1.00000
  Tm1 Tm 0.70226 0.20226 0.50000 1.00000
  Tm2 Tm 0.29774 0.79774 0.50000 1.00000
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