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  1. Third-Parties
  2. MatprojStructure
  3. mp-695967

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-695967
  • 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: 86
  • Number of elements: 5
  • Element list: ['Ag', 'P', 'H', 'N', 'O']
  • Chemical System: Ag-H-N-O-P
  • Density: 2.9929561157986955
  • Atomic Density: 0.08933561188275231
  • Unit Cell Volume: 962.6620133622624
  • Molar Volume: 6.741030405549472
  • Full Formula: Ag6 P12 H24 N6 O38
  • Reduced Formula: Ag3P6H12N3O19
  • Formula Anonymous: A3B3C6D12E19
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -537.35316506
  • Final energy per atom: -6.2482926169767445
  • 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.