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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198670

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-1198670
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Co', 'Ag', 'N', 'O']
  • Chemical System: Ag-Co-N-O
  • Density: 2.3401527055819815
  • Atomic Density: 0.0595200009451233
  • Unit Cell Volume: 537.6344000650067
  • Molar Volume: 10.117843858155075
  • Full Formula: Co2 Ag2 N12 O16
  • Reduced Formula: CoAg(N3O4)2
  • Formula Anonymous: ABC6D8
  • Spacegroup Number: 126
  • Spacegroup Symbol: P4/nnc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -195.97788744
  • Final energy per atom: -6.1243089825
  • 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.