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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221317

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-1221317
  • 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: 20
  • Number of elements: 5
  • Element list: ['Na', 'Sc', 'In', 'Si', 'O']
  • Chemical System: In-Na-O-Sc-Si
  • Density: 3.545151320632506
  • Atomic Density: 0.08370865336454357
  • Unit Cell Volume: 238.9239247811313
  • Molar Volume: 7.194167529818125
  • Full Formula: Na2 Sc1 In1 Si4 O12
  • Reduced Formula: Na2ScIn(SiO3)4
  • Formula Anonymous: ABC2D4E12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -153.96709901
  • Final energy per atom: -7.6983549505
  • 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.