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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229112

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-1229112
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Ag', 'Mo', 'Pb', 'S']
  • Chemical System: Ag-Mo-Pb-S
  • Density: 5.8301189397516735
  • Atomic Density: 0.053213104303935534
  • Unit Cell Volume: 563.7709055395451
  • Molar Volume: 11.317025831839347
  • Full Formula: Ag1 Mo12 Pb1 S16
  • Reduced Formula: AgMo12PbS16
  • Formula Anonymous: ABC12D16
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -229.99221605
  • Final energy per atom: -7.666407201666667
  • 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.