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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192409

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-1192409
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Rb', 'Sn', 'As']
  • Chemical System: As-Rb-Sn
  • Density: 5.018235254001864
  • Atomic Density: 0.03174602439240438
  • Unit Cell Volume: 882.0002043058765
  • Molar Volume: 18.96974778813838
  • Full Formula: Rb4 Sn12 As12
  • Reduced Formula: Rb(SnAs)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -115.05782391
  • Final energy per atom: -4.109207996785714
  • 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.