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  1. Third-Parties
  2. MatprojStructure
  3. mp-555843

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-555843
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ag', 'As', 'S']
  • Chemical System: Ag-As-S
  • Density: 4.820572054822076
  • Atomic Density: 0.041075891689147805
  • Unit Cell Volume: 340.83252789613283
  • Molar Volume: 14.661010418408134
  • Full Formula: Ag6 As2 S6
  • Reduced Formula: Ag3AsS3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -55.25520389
  • Final energy per atom: -3.9468002778571427
  • 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.