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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221479

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-1221479
  • 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: 74
  • Number of elements: 6
  • Element list: ['Na', 'Mn', 'Cu', 'H', 'S', 'O']
  • Chemical System: Cu-H-Mn-Na-O-S
  • Density: 2.4672097042995764
  • Atomic Density: 0.08422312925120021
  • Unit Cell Volume: 878.6185060791419
  • Molar Volume: 7.1502220512831185
  • Full Formula: Na6 Mn4 Cu2 H20 S8 O34
  • Reduced Formula: Na3Mn2CuH10S4O17
  • Formula Anonymous: AB2C3D4E10F17
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -442.30303407
  • Final energy per atom: -5.977068027972973
  • 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.