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Er7CoPb4

Alexandria ALEX

Alex-ID: agm003669232 · Space group: C2/m (#12)

Basic Information

Formula
Er7CoPb4
Alex-ID
agm003669232
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
359.48
ų
Cell a
5.1043
Å
Cell b
9.2644
Å
Cell c
8.3349
Å
α angle
80.84
°
β angle
72.17
°
γ angle
74.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er7CoPb4
Er
7.00 · 58.3%
Co
1.00 · 8.3%
Pb
4.00 · 33.3%

Energy & Stability

Energy above hull
0.3409
eV/atom
Formation energy
-0.1416
eV/atom
Corrected total energy
-55.5966
eV
Raw total energy
-55.5966
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0179
eV
DOS at Fermi level
8.0527
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C7_98_spg12

Decomposition

ErCo3 Er5Pb3

Computed at

2022-04-08 20:03:07.049052

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: agm003669232).

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 agm003669232
data_agm003669232
_cell_length_a     5.10427
_cell_length_b     9.26438
_cell_length_c     8.33487
_cell_angle_alpha  80.83770
_cell_angle_beta   72.16964
_cell_angle_gamma  74.00949
_cell_volume       359.47955
_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 0.76940 0.86916 0.59204 1.00000
  Er2 Er 0.23060 0.13084 0.40796 1.00000
  Er3 Er 0.06002 0.73733 0.14262 1.00000
  Er4 Er 0.93998 0.26267 0.85738 1.00000
  Er5 Er 0.35804 0.55217 0.73174 1.00000
  Er6 Er 0.50000 0.00000 0.00000 1.00000
  Er7 Er 0.64196 0.44783 0.26826 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
  Pb1 Pb 0.58506 0.22513 0.60476 1.00000
  Pb2 Pb 0.41494 0.77487 0.39524 1.00000
  Pb3 Pb 0.71929 0.65050 0.91092 1.00000
  Pb4 Pb 0.28071 0.34950 0.08908 1.00000
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