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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211693

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-1211693
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Th', 'Sn', 'Ru']
  • Chemical System: Ru-Sn-Th
  • Density: 8.457700045580347
  • Atomic Density: 0.03853305669033849
  • Unit Cell Volume: 1038.069736368185
  • Molar Volume: 15.628505177763254
  • Full Formula: Th6 Sn26 Ru8
  • Reduced Formula: Th3Sn13Ru4
  • Formula Anonymous: A3B4C13
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -236.47344211
  • Final energy per atom: -5.91183605275
  • 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.