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Er4GeBi

Alexandria ALEX

Alex-ID: agm003733451 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula
Er4GeBi
Alex-ID
agm003733451
Elements
3
Sites
12
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
375.79
ų
Cell a
5.8994
Å
Cell b
7.7199
Å
Cell c
8.6699
Å
α angle
90.00
°
β angle
90.00
°
γ angle
107.88
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er4GeBi
Er
8.00 · 66.7%
Ge
2.00 · 16.7%
Bi
2.00 · 16.7%

Energy & Stability

Energy above hull
0.3733
eV/atom
Formation energy
-0.2740
eV/atom
Corrected total energy
-56.7880
eV
Raw total energy
-56.7880
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0025
eV
DOS at Fermi level
16.0575
Total magnetisation
0.1097
μB

Additional Information

Prototype ID

ABC4_1226_spg11

Decomposition

Er5Bi3 Er5Ge3 Er

Computed at

2022-04-18 14:55:22.108496

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: agm003733451).

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 agm003733451
data_agm003733451
_cell_length_a     5.89943
_cell_length_b     7.71994
_cell_length_c     8.66993
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  107.87885
_cell_volume       375.78771
_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
  Er1 Er 0.58591 0.51619 0.75000 1.00000
  Er2 Er 0.41409 0.48381 0.25000 1.00000
  Er3 Er 0.43150 0.00158 0.75000 1.00000
  Er4 Er 0.56850 0.99842 0.25000 1.00000
  Er5 Er 0.96528 0.76712 0.04897 1.00000
  Er6 Er 0.03472 0.23288 0.54897 1.00000
  Er7 Er 0.96528 0.76712 0.45103 1.00000
  Er8 Er 0.03472 0.23288 0.95103 1.00000
  Ge1 Ge 0.88780 0.92865 0.75000 1.00000
  Ge2 Ge 0.11220 0.07135 0.25000 1.00000
  Bi1 Bi 0.11894 0.58687 0.75000 1.00000
  Bi2 Bi 0.88106 0.41313 0.25000 1.00000
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