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  1. Third-Parties
  2. MatprojStructure
  3. mp-759076

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-759076
  • 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: 108
  • Number of elements: 5
  • Element list: ['Mn', 'H', 'S', 'N', 'O']
  • Chemical System: H-Mn-N-O-S
  • Density: 2.6274336122047157
  • Atomic Density: 0.09840469190271281
  • Unit Cell Volume: 1097.5086442704737
  • Molar Volume: 6.11976994547552
  • Full Formula: Mn8 H32 S12 N8 O48
  • Reduced Formula: Mn2H8S3(NO6)2
  • Formula Anonymous: A2B2C3D8E12
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -699.0022764199999
  • Final energy per atom: -6.472243300185185
  • 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.