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  1. Third-Parties
  2. MatprojStructure
  3. mp-685078

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-685078
  • 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: 73
  • Number of elements: 2
  • Element list: ['K', 'B']
  • Chemical System: B-K
  • Density: 2.1747221976320636
  • Atomic Density: 0.08688432929897576
  • Unit Cell Volume: 840.197542974652
  • Molar Volume: 6.931216260273294
  • Full Formula: K11 B62
  • Reduced Formula: K11B62
  • Formula Anonymous: A11B62
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -416.46452974
  • Final energy per atom: -5.704993558082192
  • 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.