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  1. Third-Parties
  2. MatprojStructure
  3. mp-554622

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-554622
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 4
  • Element list: ['Rb', 'P', 'W', 'O']
  • Chemical System: O-P-Rb-W
  • Density: 5.872242530956032
  • Atomic Density: 0.06320078584104222
  • Unit Cell Volume: 1772.1298637281793
  • Molar Volume: 9.528585253902424
  • Full Formula: Rb6 P2 W24 O80
  • Reduced Formula: Rb3P(W3O10)4
  • Formula Anonymous: AB3C12D40
  • Spacegroup Number: 224
  • Spacegroup Symbol: Pn-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -974.10836677
  • Final energy per atom: -8.697396131875
  • 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.