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  1. Third-Parties
  2. MatprojStructure
  3. mp-698351

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-698351
  • 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: 60
  • Number of elements: 5
  • Element list: ['Ag', 'H', 'C', 'N', 'O']
  • Chemical System: Ag-C-H-N-O
  • Density: 2.581326465312429
  • Atomic Density: 0.1050483342338802
  • Unit Cell Volume: 571.1656490089188
  • Molar Volume: 5.732733226014106
  • Full Formula: Ag4 H24 C16 N8 O8
  • Reduced Formula: AgH6C4(NO)2
  • Formula Anonymous: AB2C2D4E6
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -373.25672079
  • Final energy per atom: -6.2209453465
  • 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.