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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235346

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-1235346
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 5
  • Element list: ['Li', 'Ag', 'C', 'N', 'O']
  • Chemical System: Ag-C-Li-N-O
  • Density: 3.288013963840358
  • Atomic Density: 0.05810288716785982
  • Unit Cell Volume: 154.89763828773104
  • Molar Volume: 10.364615346225353
  • Full Formula: Li1 Ag2 C2 N2 O2
  • Reduced Formula: LiAg2C2(NO)2
  • Formula Anonymous: AB2C2D2E2
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -57.08646328
  • Final energy per atom: -6.342940364444444
  • 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.