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La2Pm3Ho5

Alexandria ALEX

Alex-ID: agm005607168 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
La2Pm3Ho5
Alex-ID
agm005607168
Elements
3
Sites
20
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
670.82
ų
Cell a
9.2751
Å
Cell b
9.2753
Å
Cell c
11.2273
Å
α angle
123.51
°
β angle
123.51
°
γ angle
70.34
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Pm3Ho5
La
4.00 · 20.0%
Pm
6.00 · 30.0%
Ho
10.00 · 50.0%

Energy & Stability

Energy above hull
0.1855
eV/atom
Formation energy
0.1784
eV/atom
Corrected total energy
-90.4297
eV
Raw total energy
-90.4297
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0012
eV
DOS at Fermi level
30.3288
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C5_183_spg15

Decomposition

Pm2Ho7 LaPm LaHo2

Computed at

2023-06-24 20:53:31.270703

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: agm005607168).

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 agm005607168
data_agm005607168
_cell_length_a     9.27514
_cell_length_b     9.27534
_cell_length_c     11.22727
_cell_angle_alpha  123.50809
_cell_angle_beta   123.50773
_cell_angle_gamma  70.33807
_cell_volume       670.82011
_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
  La1 La 0.76892 0.02418 0.74706 1.00000
  La2 La 0.23108 0.97582 0.25294 1.00000
  La3 La 0.47815 0.72289 0.74706 1.00000
  La4 La 0.52185 0.27711 0.25294 1.00000
  Pm1 Pm 0.22746 0.97746 0.95493 1.00000
  Pm2 Pm 0.77254 0.02254 0.04507 1.00000
  Pm3 Pm 0.72682 0.48298 0.25416 1.00000
  Pm4 Pm 0.27318 0.51702 0.74584 1.00000
  Pm5 Pm 0.02734 0.77117 0.25416 1.00000
  Pm6 Pm 0.97266 0.22883 0.74584 1.00000
  Ho1 Ho 0.27293 0.52293 0.04586 1.00000
  Ho2 Ho 0.72707 0.47707 0.95414 1.00000
  Ho3 Ho 0.02791 0.77791 0.55582 1.00000
  Ho4 Ho 0.52659 0.27659 0.55319 1.00000
  Ho5 Ho 0.97209 0.22209 0.44418 1.00000
  Ho6 Ho 0.47341 0.72341 0.44681 1.00000
  Ho7 Ho 0.87473 0.61740 0.73352 1.00000
  Ho8 Ho 0.12527 0.38260 0.26648 1.00000
  Ho9 Ho 0.35879 0.11613 0.73352 1.00000
  Ho10 Ho 0.64121 0.88387 0.26648 1.00000
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