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La5Pm2Ho3

Alexandria ALEX

Alex-ID: agm005628343 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
La5Pm2Ho3
Alex-ID
agm005628343
Elements
3
Sites
20
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
706.03
ų
Cell a
10.2130
Å
Cell b
10.2041
Å
Cell c
11.3785
Å
α angle
129.48
°
β angle
129.50
°
γ angle
65.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La5Pm2Ho3
La
10.00 · 50.0%
Pm
4.00 · 20.0%
Ho
6.00 · 30.0%

Energy & Stability

Energy above hull
0.1679
eV/atom
Formation energy
0.1602
eV/atom
Corrected total energy
-92.5440
eV
Raw total energy
-92.5440
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0049
eV
DOS at Fermi level
34.8688
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

A2B3C5_183_spg15

Decomposition

La7Ho LaPm LaHo2

Computed at

2023-06-24 21:43:44.627996

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: agm005628343).

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 agm005628343
data_agm005628343
_cell_length_a     10.21303
_cell_length_b     10.20408
_cell_length_c     11.37849
_cell_angle_alpha  129.48291
_cell_angle_beta   129.49990
_cell_angle_gamma  65.31108
_cell_volume       706.03320
_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 0.27500 0.52500 0.04999 1.00000
  La2 La 0.72500 0.47500 0.95001 1.00000
  La3 La 0.02389 0.77389 0.54779 1.00000
  La4 La 0.51734 0.26734 0.53467 1.00000
  La5 La 0.97611 0.22611 0.45221 1.00000
  La6 La 0.48266 0.73266 0.46533 1.00000
  La7 La 0.88102 0.62880 0.75945 1.00000
  La8 La 0.11898 0.37120 0.24055 1.00000
  La9 La 0.37843 0.13064 0.75945 1.00000
  La10 La 0.62157 0.86936 0.24055 1.00000
  Pm1 Pm 0.78534 0.03426 0.75804 1.00000
  Pm2 Pm 0.21466 0.96574 0.24196 1.00000
  Pm3 Pm 0.47270 0.72378 0.75804 1.00000
  Pm4 Pm 0.52730 0.27622 0.24196 1.00000
  Ho1 Ho 0.23083 0.98083 0.96167 1.00000
  Ho2 Ho 0.76917 0.01917 0.03833 1.00000
  Ho3 Ho 0.72362 0.46749 0.24754 1.00000
  Ho4 Ho 0.27638 0.53251 0.75246 1.00000
  Ho5 Ho 0.02393 0.78006 0.24754 1.00000
  Ho6 Ho 0.97607 0.21994 0.75246 1.00000
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