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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189095

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-1189095
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Ag', 'P', 'N', 'O']
  • Chemical System: Ag-N-O-P
  • Density: 2.8020093507691013
  • Atomic Density: 0.05091398004633888
  • Unit Cell Volume: 353.53747602559196
  • Molar Volume: 11.828069136451335
  • Full Formula: Ag3 P3 N6 O6
  • Reduced Formula: AgP(NO)2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -115.29895296
  • Final energy per atom: -6.405497386666666
  • 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.