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Pm4Ho11Tm9

Alexandria ALEX

Alex-ID: agm005752687 · Space group: Cmmm (#65)

Basic Information

Formula
Pm4Ho11Tm9
Alex-ID
agm005752687
Elements
3
Sites
24
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
749.20
ų
Cell a
3.5038
Å
Cell b
14.6267
Å
Cell c
14.6267
Å
α angle
91.90
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm4Ho11Tm9
Pm
4.00 · 16.7%
Ho
11.00 · 45.8%
Tm
9.00 · 37.5%

Energy & Stability

Energy above hull
0.0653
eV/atom
Formation energy
0.0580
eV/atom
Corrected total energy
-108.2183
eV
Raw total energy
-108.2183
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
34.1452
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B9C11_10_spg65

Decomposition

HoTm5 Pm3Ho5 Pm2Ho7

Computed at

2023-07-11 05:08:35.128666

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: agm005752687).

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 agm005752687
data_agm005752687
_cell_length_a     3.50384
_cell_length_b     14.62668
_cell_length_c     14.62668
_cell_angle_alpha  91.90152
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       749.19743
_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
  Pm1 Pm 0.50000 0.54943 0.72108 1.00000
  Pm2 Pm 0.50000 0.45057 0.27892 1.00000
  Pm3 Pm 0.50000 0.72108 0.54943 1.00000
  Pm4 Pm 0.50000 0.27892 0.45057 1.00000
  Ho1 Ho 0.00000 0.58549 0.92238 1.00000
  Ho2 Ho 0.00000 0.41451 0.07762 1.00000
  Ho3 Ho 0.00000 0.92238 0.58549 1.00000
  Ho4 Ho 0.00000 0.07762 0.41451 1.00000
  Ho5 Ho 0.00000 0.65891 0.34109 1.00000
  Ho6 Ho 0.00000 0.34109 0.65891 1.00000
  Ho7 Ho 0.00000 0.83097 0.16903 1.00000
  Ho8 Ho 0.00000 0.16903 0.83097 1.00000
  Ho9 Ho 0.00000 0.00000 0.00000 1.00000
  Ho10 Ho 0.00000 0.75946 0.75946 1.00000
  Ho11 Ho 0.00000 0.24054 0.24054 1.00000
  Tm1 Tm 0.50000 0.62401 0.12877 1.00000
  Tm2 Tm 0.50000 0.37599 0.87123 1.00000
  Tm3 Tm 0.50000 0.12877 0.62401 1.00000
  Tm4 Tm 0.50000 0.87123 0.37599 1.00000
  Tm5 Tm 0.50000 0.79423 0.96409 1.00000
  Tm6 Tm 0.50000 0.20577 0.03591 1.00000
  Tm7 Tm 0.50000 0.96409 0.79423 1.00000
  Tm8 Tm 0.50000 0.03591 0.20577 1.00000
  Tm9 Tm 0.50000 0.50000 0.50000 1.00000
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