Er3(Si3Pt2)2

Alexandria ALEX

Alex-ID: agm008296077 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula

Er3(Si3Pt2)2

Alex-ID

agm008296077

Elements

Sites

Space group

P2_1/m (#11)

Crystal system

monoclinic

Volume

458.29

Å³

Cell a

8.5081

Cell b

4.2388

Cell c

12.8860

α angle

90.00

β angle

99.54

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Er3(Si3Pt2)2

6.00 · 23.1%

12.00 · 46.2%

8.00 · 30.8%

Energy & Stability

Energy above hull

0.0000

eV/atom

Formation energy

-1.0067

eV/atom

Corrected total energy

-167.3315

Raw total energy

-167.3315

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

7.6497

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A3B4C6_14_spg11

Decomposition

Er3(Si3Pt2)2

Computed at

2025-01-21 23:04:31

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: agm008296077).

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 | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm008296077
data_agm008296077
_cell_length_a     8.50811
_cell_length_b     4.23877
_cell_length_c     12.88600
_cell_angle_alpha  90.00000
_cell_angle_beta   99.54079
_cell_angle_gamma  90.00000
_cell_volume       458.29093
_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 0.76566 0.25000 0.56123 1.00000
  Er2 Er 0.58608 0.25000 0.81085 1.00000
  Er3 Er 0.23434 0.75000 0.43877 1.00000
  Er4 Er 0.41392 0.75000 0.18915 1.00000
  Er5 Er 0.93163 0.75000 0.18717 1.00000
  Er6 Er 0.06837 0.25000 0.81283 1.00000
  Si1 Si 0.58890 0.75000 0.42978 1.00000
  Si2 Si 0.12836 0.75000 0.99494 1.00000
  Si3 Si 0.87558 0.75000 0.42931 1.00000
  Si4 Si 0.69692 0.25000 0.28648 1.00000
  Si5 Si 0.30308 0.75000 0.71352 1.00000
  Si6 Si 0.80611 0.75000 0.72372 1.00000
  Si7 Si 0.87164 0.25000 0.00506 1.00000
  Si8 Si 0.19389 0.25000 0.27628 1.00000
  Si9 Si 0.37804 0.25000 0.99629 1.00000
  Si10 Si 0.12442 0.25000 0.57069 1.00000
  Si11 Si 0.62196 0.75000 0.00371 1.00000
  Si12 Si 0.41110 0.25000 0.57022 1.00000
  Pt1 Pt 0.35428 0.75000 0.89991 1.00000
  Pt2 Pt 0.97029 0.25000 0.37547 1.00000
  Pt3 Pt 0.84931 0.75000 0.91191 1.00000
  Pt4 Pt 0.02971 0.75000 0.62453 1.00000
  Pt5 Pt 0.64572 0.25000 0.10009 1.00000
  Pt6 Pt 0.15069 0.25000 0.08809 1.00000
  Pt7 Pt 0.53254 0.75000 0.62427 1.00000
  Pt8 Pt 0.46746 0.25000 0.37573 1.00000

Get direct link