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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199501

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-1199501
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 142
  • Number of elements: 6
  • Element list: ['Na', 'Mn', 'Cu', 'H', 'S', 'O']
  • Chemical System: Cu-H-Mn-Na-O-S
  • Density: 2.4304998187993374
  • Atomic Density: 0.08363656209950444
  • Unit Cell Volume: 1697.822058145565
  • Molar Volume: 7.2003686053419
  • Full Formula: Na24 Mn2 Cu4 H32 S16 O64
  • Reduced Formula: Na12MnCu2H16(SO4)8
  • Formula Anonymous: AB2C8D12E16F32
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -794.53822988
  • Final energy per atom: -5.595339647042254
  • 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.