Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1181173

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-1181173
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['K', 'Ag', 'Sn', 'S', 'O']
  • Chemical System: Ag-K-O-S-Sn
  • Density: 3.025554617238867
  • Atomic Density: 0.034743634346894745
  • Unit Cell Volume: 2302.5800698121293
  • Molar Volume: 17.333076614474084
  • Full Formula: K16 Ag8 Sn12 S36 O8
  • Reduced Formula: K4Ag2Sn3S9O2
  • Formula Anonymous: A2B2C3D4E9
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -329.16400993
  • Final energy per atom: -4.114550124125
  • 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.