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  1. Third-Parties
  2. MatprojStructure
  3. mp-704116

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-704116
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['K', 'Mn', 'Zn', 'Si', 'O']
  • Chemical System: K-Mn-O-Si-Zn
  • Density: 2.9073355991133893
  • Atomic Density: 0.07231075998986496
  • Unit Cell Volume: 1327.6032503801
  • Molar Volume: 8.328139215856758
  • Full Formula: K2 Mn4 Zn6 Si24 O60
  • Reduced Formula: KMn2Zn3(Si2O5)6
  • Formula Anonymous: AB2C3D12E30
  • Spacegroup Number: 184
  • Spacegroup Symbol: P6cc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -746.36245219
  • Final energy per atom: -7.774608876979166
  • 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.