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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199718

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-1199718
  • 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: 228
  • Number of elements: 5
  • Element list: ['Mg', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-Mg-N-O
  • Density: 1.326247801520272
  • Atomic Density: 0.0628740524025368
  • Unit Cell Volume: 3626.297197137572
  • Molar Volume: 9.578101824015757
  • Full Formula: Mg24 H48 C56 N4 O96
  • Reduced Formula: Mg6H12C14NO24
  • Formula Anonymous: AB6C12D14E24
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1558.90344133
  • Final energy per atom: -6.837295795307018
  • 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.