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  1. Third-Parties
  2. MatprojStructure
  3. mp-13740

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-13740
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ag', 'As', 'S']
  • Chemical System: Ag-As-S
  • Density: 4.454054201829025
  • Atomic Density: 0.043452070454217555
  • Unit Cell Volume: 552.3327139333244
  • Molar Volume: 13.859272290247052
  • Full Formula: Ag6 As6 S12
  • Reduced Formula: AgAsS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -103.27048381
  • Final energy per atom: -4.3029368254166664
  • 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.