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  1. Third-Parties
  2. MatprojStructure
  3. mp-557237

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-557237
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 4
  • Element list: ['K', 'In', 'Si', 'O']
  • Chemical System: In-K-O-Si
  • Density: 3.1451352561854375
  • Atomic Density: 0.06357446506714676
  • Unit Cell Volume: 2265.060348489107
  • Molar Volume: 9.472577950344485
  • Full Formula: K20 In12 Si28 O84
  • Reduced Formula: K5In3(SiO3)7
  • Formula Anonymous: A3B5C7D21
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1027.92397377
  • Final energy per atom: -7.138360928958333
  • 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.