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  1. Third-Parties
  2. MatprojStructure
  3. mp-733466

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-733466
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Ag', 'As', 'S', 'N']
  • Chemical System: Ag-As-N-S
  • Density: 3.577168441202507
  • Atomic Density: 0.03996094941584285
  • Unit Cell Volume: 1201.1726623534626
  • Molar Volume: 15.070064270326052
  • Full Formula: Ag8 As12 S24 N4
  • Reduced Formula: Ag2As3S6N
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -206.10171954000003
  • Final energy per atom: -4.29378582375
  • 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.