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  1. Third-Parties
  2. MatprojStructure
  3. mp-686742

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-686742
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ag', 'H', 'N', 'Cl', 'O']
  • Chemical System: Ag-Cl-H-N-O
  • Density: 1.5410915287511067
  • Atomic Density: 0.06953749972288124
  • Unit Cell Volume: 575.2291951739248
  • Molar Volume: 8.660277956497222
  • Full Formula: Ag2 H21 N7 Cl2 O8
  • Reduced Formula: Ag2H21N7(ClO4)2
  • Formula Anonymous: A2B2C7D8E21
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -190.6779672
  • Final energy per atom: -4.76694918
  • 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.