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  1. Third-Parties
  2. MatprojStructure
  3. mp-1120806

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-1120806
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 65
  • Number of elements: 3
  • Element list: ['Ba', 'Sn', 'Se']
  • Chemical System: Ba-Se-Sn
  • Density: 5.775056849403971
  • Atomic Density: 0.03497856787423318
  • Unit Cell Volume: 1858.280768775613
  • Molar Volume: 17.21665901718116
  • Full Formula: Ba1 Sn32 Se32
  • Reduced Formula: Ba(SnSe)32
  • Formula Anonymous: AB32C32
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -285.69220661
  • Final energy per atom: -4.395264717076923
  • 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.