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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196868

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-1196868
  • 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: 100
  • Number of elements: 5
  • Element list: ['Ag', 'H', 'C', 'N', 'O']
  • Chemical System: Ag-C-H-N-O
  • Density: 2.8078777285689727
  • Atomic Density: 0.07919277972702636
  • Unit Cell Volume: 1262.7413805235162
  • Molar Volume: 7.604406336989338
  • Full Formula: Ag8 H8 C8 N24 O52
  • Reduced Formula: Ag2H2C2N6O13
  • Formula Anonymous: A2B2C2D6E13
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -635.3345697699999
  • Final energy per atom: -6.353345697699999
  • 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.