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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211745

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-1211745
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['K', 'Rb', 'Sc', 'V', 'O']
  • Chemical System: K-O-Rb-Sc-V
  • Density: 3.197052815899784
  • Atomic Density: 0.0614696337068046
  • Unit Cell Volume: 227.75473279662998
  • Molar Volume: 9.796936140410672
  • Full Formula: K2 Rb1 Sc1 V2 O8
  • Reduced Formula: K2RbScV2O8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -105.20439461
  • Final energy per atom: -7.514599615
  • 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.