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  1. Third-Parties
  2. MatprojStructure
  3. mp-554147

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-554147
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Rb', 'Nb', 'P', 'S']
  • Chemical System: Nb-P-Rb-S
  • Density: 2.690459058055931
  • Atomic Density: 0.03570593823224992
  • Unit Cell Volume: 952.2225625005674
  • Molar Volume: 16.865936194783277
  • Full Formula: Rb4 Nb4 P4 S22
  • Reduced Formula: Rb2Nb2P2S11
  • Formula Anonymous: A2B2C2D11
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -194.77965029
  • Final energy per atom: -5.72881324382353
  • 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.