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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225269

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-1225269
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 5
  • Element list: ['Ge', 'H', 'C', 'N', 'O']
  • Chemical System: C-Ge-H-N-O
  • Density: 2.9742089633250557
  • Atomic Density: 0.0800614236651443
  • Unit Cell Volume: 1024.2136130749282
  • Molar Volume: 7.521900666152919
  • Full Formula: Ge16 H24 C4 N4 O34
  • Reduced Formula: Ge8H12C2N2O17
  • Formula Anonymous: A2B2C8D12E17
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -505.76432951
  • Final energy per atom: -6.167857676951219
  • 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.