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  1. Third-Parties
  2. MatprojStructure
  3. mp-567491

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-567491
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 4
  • Element list: ['Rb', 'Ti', 'P', 'Se']
  • Chemical System: P-Rb-Se-Ti
  • Density: 3.4775008789586006
  • Atomic Density: 0.02983135987205261
  • Unit Cell Volume: 2480.611018652442
  • Molar Volume: 20.18728206098918
  • Full Formula: Rb8 Ti4 P12 Se50
  • Reduced Formula: Rb4Ti2P6Se25
  • Formula Anonymous: A2B4C6D25
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -339.69686458
  • Final energy per atom: -4.59049817
  • 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.