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Er8Ru2Pt

Alexandria ALEX

Alex-ID: agm006010747 · Space group: Cm (#8)

Basic Information

Formula
Er8Ru2Pt
Alex-ID
agm006010747
Elements
3
Sites
11
Space group
Cm (#8)
Crystal system
monoclinic
Volume
286.59
ų
Cell a
5.8207
Å
Cell b
7.5035
Å
Cell c
7.5035
Å
α angle
112.58
°
β angle
100.26
°
γ angle
100.26
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er8Ru2Pt
Er
8.00 · 72.7%
Ru
2.00 · 18.2%
Pt
1.00 · 9.1%

Energy & Stability

Energy above hull
0.1239
eV/atom
Formation energy
-0.4013
eV/atom
Corrected total energy
-65.5573
eV
Raw total energy
-65.5573
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0237
eV
DOS at Fermi level
9.6105
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_1400_spg5

Decomposition

Er3Ru Er2Pt

Computed at

2023-09-29 20:36:59

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: agm006010747).

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 agm006010747
data_agm006010747
_cell_length_a     5.82069
_cell_length_b     7.50353
_cell_length_c     7.50353
_cell_angle_alpha  112.57668
_cell_angle_beta   100.26446
_cell_angle_gamma  100.26446
_cell_volume       286.58744
_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 0.57962 0.34363 0.08155 1.00000
  Er2 Er 0.57962 0.08155 0.34363 1.00000
  Er3 Er 0.17621 0.36515 0.36515 1.00000
  Er4 Er 0.98774 0.21805 0.78406 1.00000
  Er5 Er 0.98774 0.78406 0.21805 1.00000
  Er6 Er 0.79613 0.63560 0.63560 1.00000
  Er7 Er 0.38782 0.92825 0.66668 1.00000
  Er8 Er 0.38782 0.66668 0.92825 1.00000
  Ru1 Ru 0.48739 0.69546 0.31706 1.00000
  Ru2 Ru 0.48739 0.31706 0.69546 1.00000
  Pt1 Pt 0.14221 0.99843 0.99843 1.00000
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