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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104271

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-1104271
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ag', 'Sb', 'S']
  • Chemical System: Ag-S-Sb
  • Density: 4.899352425236151
  • Atomic Density: 0.03813654667643402
  • Unit Cell Volume: 367.1019329249105
  • Molar Volume: 15.79099652387064
  • Full Formula: Ag6 Sb2 S6
  • Reduced Formula: Ag3SbS3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -54.56183996
  • Final energy per atom: -3.897274282857143
  • 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.