Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1195808

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-1195808
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Ag', 'Sn', 'S']
  • Chemical System: Ag-S-Sn
  • Density: 5.344248886654139
  • Atomic Density: 0.04623568089360736
  • Unit Cell Volume: 1297.6990679139262
  • Molar Volume: 13.02487741849744
  • Full Formula: Ag16 Sn12 S32
  • Reduced Formula: Ag4Sn3S8
  • Formula Anonymous: A3B4C8
  • Spacegroup Number: 213
  • Spacegroup Symbol: P4_132
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -256.35121453
  • Final energy per atom: -4.272520242166666
  • 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.