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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019786

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-1019786
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['K', 'Zn', 'B', 'O']
  • Chemical System: B-K-O-Zn
  • Density: 2.4928887266300683
  • Atomic Density: 0.07189311269141507
  • Unit Cell Volume: 1057.1249060562006
  • Molar Volume: 8.376519717331865
  • Full Formula: K12 Zn4 B20 O40
  • Reduced Formula: K3Zn(BO2)5
  • Formula Anonymous: AB3C5D10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -551.38540962
  • Final energy per atom: -7.2550711792105265
  • 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.