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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211267

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-1211267
  • 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: 50
  • Number of elements: 5
  • Element list: ['Mg', 'C', 'S', 'N', 'O']
  • Chemical System: C-Mg-N-O-S
  • Density: 1.6348468002059502
  • Atomic Density: 0.0585348028510559
  • Unit Cell Volume: 854.1926779394296
  • Molar Volume: 10.288137085425182
  • Full Formula: Mg2 C4 S4 N12 O28
  • Reduced Formula: MgC2S2(N3O7)2
  • Formula Anonymous: AB2C2D6E14
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -275.47198567
  • Final energy per atom: -5.5094397134
  • 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.