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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210606

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-1210606
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Mn', 'Si', 'Se']
  • Chemical System: Mn-Se-Si
  • Density: 4.567128903580376
  • Atomic Density: 0.043547310985521726
  • Unit Cell Volume: 505.19766897465587
  • Molar Volume: 13.82896124631483
  • Full Formula: Mn6 Si4 Se12
  • Reduced Formula: Mn3(SiSe3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -132.62273259
  • Final energy per atom: -6.028306026818182
  • 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.