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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222084

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-1222084
  • 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: 62
  • Number of elements: 4
  • Element list: ['Mn', 'H', 'C', 'O']
  • Chemical System: C-H-Mn-O
  • Density: 2.4974636790218496
  • Atomic Density: 0.07904511012479337
  • Unit Cell Volume: 784.3622445729634
  • Molar Volume: 7.618612651045051
  • Full Formula: Mn8 H4 C16 O34
  • Reduced Formula: Mn4H2C8O17
  • Formula Anonymous: A2B4C8D17
  • Spacegroup Number: 30
  • Spacegroup Symbol: Pnc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -508.6150453
  • Final energy per atom: -8.203468472580646
  • 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.