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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203956

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-1203956
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 6
  • Element list: ['Mn', 'Sn', 'H', 'C', 'S', 'O']
  • Chemical System: C-H-Mn-O-S-Sn
  • Density: 2.0239885040995644
  • Atomic Density: 0.08673188161692781
  • Unit Cell Volume: 1752.5274116771097
  • Molar Volume: 6.943399183472383
  • Full Formula: Mn4 Sn4 H64 C24 S12 O44
  • Reduced Formula: MnSnH16C6S3O11
  • Formula Anonymous: ABC3D6E11F16
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -917.25923379
  • Final energy per atom: -6.034600222302632
  • 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.