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LaPmErIn

Alexandria ALEX

Alex-ID: agm090482159 · Space group: Pmma (#51)

Alexandria Database API

Basic Information

Formula
LaPmErIn
Alex-ID
agm090482159
Elements
4
Sites
8
Space group
Pmma (#51)
Crystal system
orthorhombic
Volume
242.06
ų
Cell a
5.0437
Å
Cell b
6.9179
Å
Cell c
6.9376
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaPmErIn
La
2.00 · 25.0%
Pm
2.00 · 25.0%
Er
2.00 · 25.0%
In
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0161
eV/atom
Formation energy
-0.2618
eV/atom
Corrected total energy
-36.1159
eV
Raw total energy
-36.1159
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0111
eV
DOS at Fermi level
10.8110
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

ABCD_16_spg26

Decomposition

PmEr8 LaPm5In2 Er2In La4ErIn3

Computed at

2025-07-01 21:29:33

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: agm090482159).

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 agm090482159
data_agm090482159
_cell_length_a     5.04370
_cell_length_b     6.91786
_cell_length_c     6.93761
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       242.06444
_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 0.50000 0.50000 0.00000 1.00000
  La2 La 0.50000 0.00000 0.00000 1.00000
  Pm1 Pm 0.50000 0.00000 0.50000 1.00000
  Pm2 Pm 0.50000 0.50000 0.50000 1.00000
  Er1 Er 0.00000 0.75000 0.25671 1.00000
  Er2 Er 0.00000 0.25000 0.74329 1.00000
  In1 In 0.00000 0.25000 0.25437 1.00000
  In2 In 0.00000 0.75000 0.74563 1.00000
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