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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219672

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-1219672
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Rb', 'Nb', 'Se']
  • Chemical System: Nb-Rb-Se
  • Density: 6.603748646709315
  • Atomic Density: 0.04680190439693906
  • Unit Cell Volume: 320.4997786581742
  • Molar Volume: 12.86729853752246
  • Full Formula: Rb1 Nb6 Se8
  • Reduced Formula: Rb(Nb3Se4)2
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -106.77274502
  • Final energy per atom: -7.118183001333334
  • 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.