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  1. Third-Parties
  2. MatprojStructure
  3. mp-570167

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-570167
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Rb', 'Sn', 'P', 'Se']
  • Chemical System: P-Rb-Se-Sn
  • Density: 3.7836273871749855
  • Atomic Density: 0.030685417591357504
  • Unit Cell Volume: 2346.391401897645
  • Molar Volume: 19.625415694835212
  • Full Formula: Rb12 Sn4 P12 Se44
  • Reduced Formula: Rb3SnP3Se11
  • Formula Anonymous: AB3C3D11
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -303.64643077999995
  • Final energy per atom: -4.21731153861111
  • 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.