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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204283

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-1204283
  • 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: 86
  • Number of elements: 5
  • Element list: ['Na', 'Ga', 'H', 'S', 'O']
  • Chemical System: Ga-H-Na-O-S
  • Density: 2.667169191382936
  • Atomic Density: 0.06123241847257729
  • Unit Cell Volume: 1404.4847834732313
  • Molar Volume: 9.83488960622549
  • Full Formula: Na10 Ga14 H24 S26 O12
  • Reduced Formula: Na5Ga7H12S13O6
  • Formula Anonymous: A5B6C7D12E13
  • Spacegroup Number: 219
  • Spacegroup Symbol: F-43c
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -409.42790816
  • Final energy per atom: -4.760789629767442
  • 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.