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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223606

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-1223606
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['K', 'Ba', 'Zn', 'B', 'O']
  • Chemical System: B-Ba-K-O-Zn
  • Density: 3.5566028166149906
  • Atomic Density: 0.07991339695098863
  • Unit Cell Volume: 850.921154580687
  • Molar Volume: 7.535833777274435
  • Full Formula: K2 Ba4 Zn6 B18 O38
  • Reduced Formula: KBa2Zn3B9O19
  • Formula Anonymous: AB2C3D9E19
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -513.6261063000001
  • Final energy per atom: -7.55332509264706
  • 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.