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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199990

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-1199990
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Ag', 'C', 'I', 'N']
  • Chemical System: Ag-C-I-N
  • Density: 3.703681638954194
  • Atomic Density: 0.03387109421225889
  • Unit Cell Volume: 1180.9479714275924
  • Molar Volume: 17.779587285433546
  • Full Formula: Ag8 C16 I12 N4
  • Reduced Formula: Ag2C4I3N
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -187.14825746
  • Final energy per atom: -4.6787064365
  • 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.