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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229186

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-1229186
  • Created at: Sept. 4, 2022, 2:44 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: ['Ca', 'Mg', 'S', 'O']
  • Chemical System: Ca-Mg-O-S
  • Density: 2.7240415841309167
  • Atomic Density: 0.07834997988864738
  • Unit Cell Volume: 1837.907300099576
  • Molar Volume: 7.686205878493896
  • Full Formula: Ca8 Mg16 S24 O96
  • Reduced Formula: CaMg2(SO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -974.32538608
  • Final energy per atom: -6.766148514444445
  • 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.