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  1. Third-Parties
  2. MatprojStructure
  3. mp-9906

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-9906
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Y', 'Re', 'Si']
  • Chemical System: Re-Si-Y
  • Density: 12.971838730956216
  • Atomic Density: 0.061447880800496665
  • Unit Cell Volume: 227.83535929341346
  • Molar Volume: 9.800404312643643
  • Full Formula: Y2 Re8 Si4
  • Reduced Formula: Y(Re2Si)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -140.69246693
  • Final energy per atom: -10.049461923571428
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.