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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211369

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-1211369
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'B', 'O']
  • Chemical System: B-K-Nb-O
  • Density: 2.778236461493642
  • Atomic Density: 0.0670247760802442
  • Unit Cell Volume: 298.3971177472546
  • Molar Volume: 8.984947227261305
  • Full Formula: K2 Nb2 B4 O12
  • Reduced Formula: KNb(BO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -166.11661934
  • Final energy per atom: -8.305830967
  • 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.